4,5-Secocholestane
TL;DR: 4,5-Secocholestane (CAS 32854-50-5) is a chemical compound with molecular formula C27H50 and molecular weight 374.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,3aR,5aS)-6-butyl-3a,6-dimethyl-3-(6-methylheptan-2-yl)-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene
Also Known As: 4,5-Secocholestane, KST-1A4363, (3r,3ar,5as)-6-butyl-3-(1,5-dimethylhexyl)-3a,6-dimethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1h-cyclopenta[h]naphthalene, (3R,3aR,5aS)-6-butyl-3a,6-dimethyl-3-(6-methylheptan-2-yl)-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene, 6-Butyl-3a,6-dimethyl-3-(6-methylheptan-2-yl)dodecahydro-1H-cyclopenta[a]naphthalene
| Molecular Formula | C27H50 |
|---|---|
| Molecular Weight | 374.39 g/mol |
| LogP | 11.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 8 |
| Exact Mass | 374.39127 |
| Heavy Atoms | 27 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 32854-50-5 |
|---|---|
| SMILES | CCCCC1(CCCC2[C@@H]1CC[C@]3(C2CC[C@@H]3C(C)CCCC(C)C)C)C |
| InChIKey | JVEXQSVXUSNXKX-SCZNZVATSA-N |
Product Overview
4,5-Secocholestane (CAS 32854-50-5), with molecular formula C27H50 and molecular weight 374.39 g/mol. IUPAC: (3R,3aR,5aS)-6-butyl-3a,6-dimethyl-3-(6-methylheptan-2-yl)-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene.
Chemical Property Profile of 4,5-Secocholestane
Property Insights of 4,5-Secocholestane
The XLogP value of 11.6 indicates that 4,5-Secocholestane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4,5-Secocholestane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Secocholestane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,5-Secocholestane?
The CAS number of 4,5-Secocholestane is 32854-50-5.
What is the molecular formula of 4,5-Secocholestane?
The molecular formula of 4,5-Secocholestane is C27H50.
What is the molecular weight of 4,5-Secocholestane?
The molecular weight of 4,5-Secocholestane is 374.39 g/mol.
Where can I buy 4,5-Secocholestane?
You can request a quote for 4,5-Secocholestane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Secocholestane?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Secocholestane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.