B-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester, (10alpha)-
TL;DR: B-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester, (10alpha)- (CAS 1253-62-9) is a chemical compound with molecular formula C27H46O3 and molecular weight 418.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7a-methyl-1-(6-methylheptan-2-yl)-5-(1-methyl-2-oxocyclohexyl)-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylate
Also Known As: b-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester, b-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester, (10.alpha.)-, b-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester, (10alpha)-, B-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester, (10I+/-)-, methyl 7a-methyl-1-(6-methylheptan-2-yl)-5-(1-methyl-2-oxocyclohexyl)octahydro-1h-indene-4-carboxylate
| Molecular Formula | C27H46O3 |
|---|---|
| Molecular Weight | 418.34 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 418.3447 |
| Heavy Atoms | 30 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 1253-62-9 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC(C2C(=O)OC)C3(CCCCC3=O)C)C |
| InChIKey | NEXVOLKTCOXRGG-UHFFFAOYSA-N |
Product Overview
B-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester, (10alpha)- (CAS 1253-62-9), with molecular formula C27H46O3 and molecular weight 418.34 g/mol. IUPAC: methyl 7a-methyl-1-(6-methylheptan-2-yl)-5-(1-methyl-2-oxocyclohexyl)-1,2,3,3a,4,5,6,7-octahydroindene-4-carboxylate.
Chemical Property Profile of B-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester, (10alpha)-
Property Insights of B-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester, (10alpha)-
The XLogP value of 8.1 indicates that B-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester, (10alpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, B-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester, (10alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, B-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester, (10alpha)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of B-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester, (10alpha)-?
The CAS number of B-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester, (10alpha)- is 1253-62-9.
What is the molecular formula of B-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester, (10alpha)-?
The molecular formula of B-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester, (10alpha)- is C27H46O3.
What is the molecular weight of B-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester, (10alpha)-?
The molecular weight of B-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester, (10alpha)- is 418.34 g/mol.
Where can I buy B-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester, (10alpha)-?
You can request a quote for B-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester, (10alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for B-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester, (10alpha)-?
Yes, KEHONG BIO provides custom synthesis services for B-Nor-5,6-secocholestan-6-oic acid, 5-oxo-, methyl ester, (10alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.