4-Methyl-4,5-secocholestane
TL;DR: 4-Methyl-4,5-secocholestane (CAS 140183-68-2) is a chemical compound with molecular formula C28H52 and molecular weight 388.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,6-dimethyl-3-(6-methylheptan-2-yl)-6-pentyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene
Also Known As: 4-Methyl-4,5-secocholestane, 4,5-Secocholestane, 4-methyl-, C28-H52, 3a,6-dimethyl-3-(6-methylheptan-2-yl)-6-pentyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene, 3a,6-dimethyl-3-(6-methylheptan-2-yl)-6-pentyldodecahydro-1H-cyclopenta[a]naphthalene
| Molecular Formula | C28H52 |
|---|---|
| Molecular Weight | 388.41 g/mol |
| LogP | 12.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 9 |
| Exact Mass | 388.4069 |
| Heavy Atoms | 28 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 140183-68-2 |
|---|---|
| SMILES | CCCCCC1(CCCC2C1CCC3(C2CCC3C(C)CCCC(C)C)C)C |
| InChIKey | ADAKQDSQOOZSMZ-UHFFFAOYSA-N |
Product Overview
4-Methyl-4,5-secocholestane (CAS 140183-68-2), with molecular formula C28H52 and molecular weight 388.41 g/mol. IUPAC: 3a,6-dimethyl-3-(6-methylheptan-2-yl)-6-pentyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene.
Chemical Property Profile of 4-Methyl-4,5-secocholestane
Property Insights of 4-Methyl-4,5-secocholestane
The XLogP value of 12.1 indicates that 4-Methyl-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-Methyl-4,5-secocholestane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-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-Methyl-4,5-secocholestane?
The CAS number of 4-Methyl-4,5-secocholestane is 140183-68-2.
What is the molecular formula of 4-Methyl-4,5-secocholestane?
The molecular formula of 4-Methyl-4,5-secocholestane is C28H52.
What is the molecular weight of 4-Methyl-4,5-secocholestane?
The molecular weight of 4-Methyl-4,5-secocholestane is 388.41 g/mol.
Where can I buy 4-Methyl-4,5-secocholestane?
You can request a quote for 4-Methyl-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-Methyl-4,5-secocholestane?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-4,5-secocholestane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.