CAS 59259-38-0 | (R)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 2-hydroxypropanoate | CAS Number 59259-38-0

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59259-38-0 | (R)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 2-hydroxypropanoate

CAS No: 59259-38-0 Catalog No: AG003BBM MDL No:MFCD09037384

Product Description

Catalog Number:

AG003BBM

Chemical Name:

(R)-(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 2-hydroxypropanoate

CAS Number:

59259-38-0

Molecular Formula:

C13H24O3

Molecular Weight:

228.3279

MDL Number:

MFCD09037384

IUPAC Name:

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxypropanoate

InChI:

InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,5-7H2,1-4H3/t9-,10?,11+,12-/m1/s1

InChI Key:

UJNOLBSYLSYIBM-SGUBAKSOSA-N

SMILES:

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C(O)C)C(C)C

FEMA Number:

3748

Properties

Complexity:

237

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.173g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.332g/mol

Monoisotopic Mass:

228.173g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
Characterization of selective TRPM8 ligands and their structure activity response (S.A.R) relationship.	Journal of pharmacy & pharmaceutical sciences : a publication of the Canadian Society for Pharmaceutical Sciences, Societe canadienne des sciences pharmaceutiques 20100101
Characterization of the mouse cold-menthol receptor TRPM8 and vanilloid receptor type-1 VR1 using a fluorometric imaging plate reader (FLIPR) assay.	British journal of pharmacology 20040201