4a,17-dimethyl-A-homo-B,19-dinor-3,4-secoandrost-9-ene-3,17-diol
TL;DR: 4a,17-dimethyl-A-homo-B,19-dinor-3,4-secoandrost-9-ene-3,17-diol (CAS 145458-99-7) is a chemical compound with molecular formula C20H32O2 and molecular weight 304.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,3aS,7R,8aS,8bS)-6-(3-hydroxypropyl)-3,3a-dimethyl-7-prop-1-en-2-yl-1,2,4,5,7,8,8a,8b-octahydro-as-indacen-3-ol
Also Known As: DMHDSA, 4a,17-Dimethyl-A-homo-B,19-dinor-3,4-secoandrost-9-ene-3,17-diol, 4a,17-Dimethyl-A-homo-B,19-dinor-3,4-seco-5beta-androst-9-ene-3,17beta-diol, (3S,3aS,7R,8aS,8bS)-6-(3-hydroxypropyl)-3,3a-dimethyl-7-prop-1-en-2-yl-1,2,4,5,7,8,8a,8b-octahydro-as-indacen-3-ol, 4a,17-dimethyl-A-homo-B,19-dinor-3,4-seco-5 beta-androst-9-ene-3,17 beta-diol
| Molecular Formula | C20H32O2 |
|---|---|
| Molecular Weight | 304.24 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.24023 |
| Heavy Atoms | 22 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 145458-99-7 |
|---|---|
| SMILES | CC(=C)[C@H]1C[C@H]2[C@@H]3CC[C@]([C@]3(CCC2=C1CCCO)C)(C)O |
| InChIKey | UYLCMHQZHUIMIY-SLHNCBLASA-N |
Product Overview
4a,17-dimethyl-A-homo-B,19-dinor-3,4-secoandrost-9-ene-3,17-diol (CAS 145458-99-7), with molecular formula C20H32O2 and molecular weight 304.24 g/mol. IUPAC: (3S,3aS,7R,8aS,8bS)-6-(3-hydroxypropyl)-3,3a-dimethyl-7-prop-1-en-2-yl-1,2,4,5,7,8,8a,8b-octahydro-as-indacen-3-ol.
Chemical Property Profile of 4a,17-dimethyl-A-homo-B,19-dinor-3,4-secoandrost-9-ene-3,17-diol
Property Insights of 4a,17-dimethyl-A-homo-B,19-dinor-3,4-secoandrost-9-ene-3,17-diol
The XLogP value of 3.3 indicates that 4a,17-dimethyl-A-homo-B,19-dinor-3,4-secoandrost-9-ene-3,17-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, 4a,17-dimethyl-A-homo-B,19-dinor-3,4-secoandrost-9-ene-3,17-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a,17-dimethyl-A-homo-B,19-dinor-3,4-secoandrost-9-ene-3,17-diol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4a,17-dimethyl-A-homo-B,19-dinor-3,4-secoandrost-9-ene-3,17-diol?
The CAS number of 4a,17-dimethyl-A-homo-B,19-dinor-3,4-secoandrost-9-ene-3,17-diol is 145458-99-7.
What is the molecular formula of 4a,17-dimethyl-A-homo-B,19-dinor-3,4-secoandrost-9-ene-3,17-diol?
The molecular formula of 4a,17-dimethyl-A-homo-B,19-dinor-3,4-secoandrost-9-ene-3,17-diol is C20H32O2.
What is the molecular weight of 4a,17-dimethyl-A-homo-B,19-dinor-3,4-secoandrost-9-ene-3,17-diol?
The molecular weight of 4a,17-dimethyl-A-homo-B,19-dinor-3,4-secoandrost-9-ene-3,17-diol is 304.24 g/mol.
Where can I buy 4a,17-dimethyl-A-homo-B,19-dinor-3,4-secoandrost-9-ene-3,17-diol?
You can request a quote for 4a,17-dimethyl-A-homo-B,19-dinor-3,4-secoandrost-9-ene-3,17-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a,17-dimethyl-A-homo-B,19-dinor-3,4-secoandrost-9-ene-3,17-diol?
Yes, KEHONG BIO provides custom synthesis services for 4a,17-dimethyl-A-homo-B,19-dinor-3,4-secoandrost-9-ene-3,17-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.