3,19-Dioxoandrost-4-en-17-yl benzoate
TL;DR: 3,19-Dioxoandrost-4-en-17-yl benzoate (CAS 986-02-7) is a chemical compound with molecular formula C26H30O4 and molecular weight 406.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10-formyl-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) benzoate
Also Known As: 3,19-Dioxoandrost-4-en-17-yl benzoate, 10-formyl-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl benzoate, Androst-4-en-19-al, 17.beta.-hydroxy-3-oxo-, benzoate, (10-formyl-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) benzoate, Androst-4-en-19-al, 17-(benzoyloxy)-3-oxo-, (17.beta.)-
| Molecular Formula | C26H30O4 |
|---|---|
| Molecular Weight | 406.21 g/mol |
| LogP | 4.9229 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.21442 |
| Heavy Atoms | 30 |
| Complexity | 902.86847 |
Chemical Identifiers
| CAS Number | 986-02-7 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2OC(=O)C4=CC=CC=C4)CCC5=CC(=O)CCC35C=O |
Product Overview
3,19-Dioxoandrost-4-en-17-yl benzoate (CAS 986-02-7), with molecular formula C26H30O4 and molecular weight 406.21 g/mol. IUPAC: (10-formyl-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) benzoate.
Chemical Property Profile of 3,19-Dioxoandrost-4-en-17-yl benzoate
Property Insights of 3,19-Dioxoandrost-4-en-17-yl benzoate
The XLogP value of 4.9229 indicates that 3,19-Dioxoandrost-4-en-17-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,19-Dioxoandrost-4-en-17-yl benzoate. Following Lipinski's Rule of Five, 3,19-Dioxoandrost-4-en-17-yl benzoate has 0 hydrogen bond donor(s) and 4 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 3,19-Dioxoandrost-4-en-17-yl benzoate?
The CAS number of 3,19-Dioxoandrost-4-en-17-yl benzoate is 986-02-7.
What is the molecular formula of 3,19-Dioxoandrost-4-en-17-yl benzoate?
The molecular formula of 3,19-Dioxoandrost-4-en-17-yl benzoate is C26H30O4.
What is the molecular weight of 3,19-Dioxoandrost-4-en-17-yl benzoate?
The molecular weight of 3,19-Dioxoandrost-4-en-17-yl benzoate is 406.21 g/mol.
Where can I buy 3,19-Dioxoandrost-4-en-17-yl benzoate?
You can request a quote for 3,19-Dioxoandrost-4-en-17-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,19-Dioxoandrost-4-en-17-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3,19-Dioxoandrost-4-en-17-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.