3,5-seco-4-nor-cholestan-5-one-3-methyl ester
TL;DR: 3,5-seco-4-nor-cholestan-5-one-3-methyl ester (CAS 23579-92-2) 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 3-[3a,6-dimethyl-3-(6-methylheptan-2-yl)-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]propanoate
Also Known As: 3,5-seco-4-nor-cholestan-5-one-3-methyl ester, methyl 3-[3a,6-dimethyl-3-(6-methylheptan-2-yl)-7-oxododecahydro-1h-cyclopenta[a]naphthalen-6-yl]propanoate, methyl 3-[3a,6-dimethyl-3-(6-methylheptan-2-yl)-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]propanoate
| Molecular Formula | C27H46O3 |
|---|---|
| Molecular Weight | 418.34 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 418.3447 |
| Heavy Atoms | 30 |
| Complexity | 626.0 |
Chemical Identifiers
| CAS Number | 23579-92-2 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC(=O)C3(C)CCC(=O)OC)C |
| InChIKey | KFESJUNMYAXFFT-UHFFFAOYSA-N |
Product Overview
3,5-seco-4-nor-cholestan-5-one-3-methyl ester (CAS 23579-92-2), with molecular formula C27H46O3 and molecular weight 418.34 g/mol. IUPAC: methyl 3-[3a,6-dimethyl-3-(6-methylheptan-2-yl)-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]propanoate.
Chemical Property Profile of 3,5-seco-4-nor-cholestan-5-one-3-methyl ester
Property Insights of 3,5-seco-4-nor-cholestan-5-one-3-methyl ester
The XLogP value of 7.8 indicates that 3,5-seco-4-nor-cholestan-5-one-3-methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 3,5-seco-4-nor-cholestan-5-one-3-methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-seco-4-nor-cholestan-5-one-3-methyl ester 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 3,5-seco-4-nor-cholestan-5-one-3-methyl ester?
The CAS number of 3,5-seco-4-nor-cholestan-5-one-3-methyl ester is 23579-92-2.
What is the molecular formula of 3,5-seco-4-nor-cholestan-5-one-3-methyl ester?
The molecular formula of 3,5-seco-4-nor-cholestan-5-one-3-methyl ester is C27H46O3.
What is the molecular weight of 3,5-seco-4-nor-cholestan-5-one-3-methyl ester?
The molecular weight of 3,5-seco-4-nor-cholestan-5-one-3-methyl ester is 418.34 g/mol.
Where can I buy 3,5-seco-4-nor-cholestan-5-one-3-methyl ester?
You can request a quote for 3,5-seco-4-nor-cholestan-5-one-3-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-seco-4-nor-cholestan-5-one-3-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,5-seco-4-nor-cholestan-5-one-3-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.