3-Acetoxy-4a-methyl-A-homo-B,19-dinor-3,4-secoandrost-9-en-17-one
TL;DR: 3-Acetoxy-4a-methyl-A-homo-B,19-dinor-3,4-secoandrost-9-en-17-one (CAS 145458-97-5) is a chemical compound with molecular formula C21H30O3 and molecular weight 330.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2R,5aS,8aS,8bS)-5a-methyl-6-oxo-2-prop-1-en-2-yl-1,2,4,5,7,8,8a,8b-octahydro-as-indacen-3-yl]propyl acetate
Also Known As: Amhdsa, 3-Acetoxy-4a-methyl-A-homo-B,19-dinor-3,4-secoandrost-9-en-17-one, 3beta-Acetoxy-4a-methyl-A-homo-B,19-dinor-3,4-seco-5beta-androst-9-en-17-one, 3-[(2R,5aS,8aS,8bS)-5a-methyl-6-oxo-2-prop-1-en-2-yl-1,2,4,5,7,8,8a,8b-octahydro-as-indacen-3-yl]propyl acetate, 3 beta-acetoxy-4a-methyl-A-homo-B,19-dinor-3,4-seco-5 beta-androst-9-en-17-one
| Molecular Formula | C21H30O3 |
|---|---|
| Molecular Weight | 330.22 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 330.21948 |
| Heavy Atoms | 24 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 145458-97-5 |
|---|---|
| SMILES | CC(=C)[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@]3(CCC2=C1CCCOC(=O)C)C |
| InChIKey | GHBAWIZUVFCJBD-BNDYYXHWSA-N |
Product Overview
3-Acetoxy-4a-methyl-A-homo-B,19-dinor-3,4-secoandrost-9-en-17-one (CAS 145458-97-5), with molecular formula C21H30O3 and molecular weight 330.22 g/mol. IUPAC: 3-[(2R,5aS,8aS,8bS)-5a-methyl-6-oxo-2-prop-1-en-2-yl-1,2,4,5,7,8,8a,8b-octahydro-as-indacen-3-yl]propyl acetate.
Chemical Property Profile of 3-Acetoxy-4a-methyl-A-homo-B,19-dinor-3,4-secoandrost-9-en-17-one
Property Insights of 3-Acetoxy-4a-methyl-A-homo-B,19-dinor-3,4-secoandrost-9-en-17-one
The XLogP value of 3.4 indicates that 3-Acetoxy-4a-methyl-A-homo-B,19-dinor-3,4-secoandrost-9-en-17-one 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-Acetoxy-4a-methyl-A-homo-B,19-dinor-3,4-secoandrost-9-en-17-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetoxy-4a-methyl-A-homo-B,19-dinor-3,4-secoandrost-9-en-17-one has 0 hydrogen bond donor(s) and 3 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 3-Acetoxy-4a-methyl-A-homo-B,19-dinor-3,4-secoandrost-9-en-17-one?
The CAS number of 3-Acetoxy-4a-methyl-A-homo-B,19-dinor-3,4-secoandrost-9-en-17-one is 145458-97-5.
What is the molecular formula of 3-Acetoxy-4a-methyl-A-homo-B,19-dinor-3,4-secoandrost-9-en-17-one?
The molecular formula of 3-Acetoxy-4a-methyl-A-homo-B,19-dinor-3,4-secoandrost-9-en-17-one is C21H30O3.
What is the molecular weight of 3-Acetoxy-4a-methyl-A-homo-B,19-dinor-3,4-secoandrost-9-en-17-one?
The molecular weight of 3-Acetoxy-4a-methyl-A-homo-B,19-dinor-3,4-secoandrost-9-en-17-one is 330.22 g/mol.
Where can I buy 3-Acetoxy-4a-methyl-A-homo-B,19-dinor-3,4-secoandrost-9-en-17-one?
You can request a quote for 3-Acetoxy-4a-methyl-A-homo-B,19-dinor-3,4-secoandrost-9-en-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetoxy-4a-methyl-A-homo-B,19-dinor-3,4-secoandrost-9-en-17-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetoxy-4a-methyl-A-homo-B,19-dinor-3,4-secoandrost-9-en-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.