4-Methyl-2,3-secocholestane-2,3-diol
TL;DR: 4-Methyl-2,3-secocholestane-2,3-diol (CAS 95237-33-5) is a chemical compound with molecular formula C28H52O2 and molecular weight 420.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(2-hydroxyethyl)-3a,6-dimethyl-3-(6-methylheptan-2-yl)-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]propan-1-ol
Also Known As: MCSD, 4-Methyl-2,3-secocholestane-2,3-diol, 2-[6-(2-hydroxyethyl)-3a,6-dimethyl-3-(6-methylheptan-2-yl)-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]propan-1-ol, 2-[6-(2-hydroxyethyl)-3a,6-dimethyl-3-(6-methylheptan-2-yl)dodecahydro-1H-cyclopenta[a]naphthalen-7-yl]propan-1-ol, RefChem:99716
| Molecular Formula | C28H52O2 |
|---|---|
| Molecular Weight | 420.40 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 420.39673 |
| Heavy Atoms | 30 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 95237-33-5 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC(C3(C)CCO)C(C)CO)C |
| InChIKey | AMBXMKTXDPOXAX-UHFFFAOYSA-N |
Product Overview
4-Methyl-2,3-secocholestane-2,3-diol (CAS 95237-33-5), with molecular formula C28H52O2 and molecular weight 420.40 g/mol. IUPAC: 2-[6-(2-hydroxyethyl)-3a,6-dimethyl-3-(6-methylheptan-2-yl)-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalen-7-yl]propan-1-ol.
Chemical Property Profile of 4-Methyl-2,3-secocholestane-2,3-diol
Property Insights of 4-Methyl-2,3-secocholestane-2,3-diol
The XLogP value of 8.9 indicates that 4-Methyl-2,3-secocholestane-2,3-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 4-Methyl-2,3-secocholestane-2,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2,3-secocholestane-2,3-diol has 2 hydrogen bond donor(s) and 2 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-2,3-secocholestane-2,3-diol?
The CAS number of 4-Methyl-2,3-secocholestane-2,3-diol is 95237-33-5.
What is the molecular formula of 4-Methyl-2,3-secocholestane-2,3-diol?
The molecular formula of 4-Methyl-2,3-secocholestane-2,3-diol is C28H52O2.
What is the molecular weight of 4-Methyl-2,3-secocholestane-2,3-diol?
The molecular weight of 4-Methyl-2,3-secocholestane-2,3-diol is 420.40 g/mol.
Where can I buy 4-Methyl-2,3-secocholestane-2,3-diol?
You can request a quote for 4-Methyl-2,3-secocholestane-2,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2,3-secocholestane-2,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2,3-secocholestane-2,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.