16-Hydroxy-3-oxo-16-propylestr-4-en-17-yl acetate
TL;DR: 16-Hydroxy-3-oxo-16-propylestr-4-en-17-yl acetate (CAS 97831-31-7) is a chemical compound with molecular formula C23H34O4 and molecular weight 374.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(16S,17R)-16-hydroxy-13-methyl-3-oxo-16-propyl-1,2,6,7,8,9,10,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Also Known As: 16-beta,17-beta-Dihydroxy-16-propylestr-4-en-3-one 17-acetate, 16-Hydroxy-3-oxo-16-propylestr-4-en-17-yl acetate, ESTR-4-EN-3-ONE, 16-beta,17-beta-DIHYDROXY-16-PROPYL-, 17-ACETATE, 16-alpha-Propyl-19-nor-delta(sup 4)-androstene-16-beta,17-beta-diol-3-one-17-acetate, 16alpha-Hydroxy-3-oxo-16beta-propylestr-4-en-17alpha-yl acetate
| Molecular Formula | C23H34O4 |
|---|---|
| Molecular Weight | 374.25 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.2457 |
| Heavy Atoms | 27 |
| Complexity | 667.0 |
Chemical Identifiers
| CAS Number | 97831-31-7 |
|---|---|
| SMILES | CCC[C@@]1(CC2C3CCC4=CC(=O)CCC4C3CCC2([C@H]1OC(=O)C)C)O |
| InChIKey | BRYMKVQCTXDUJO-XJIMYUCMSA-N |
Product Overview
16-Hydroxy-3-oxo-16-propylestr-4-en-17-yl acetate (CAS 97831-31-7), with molecular formula C23H34O4 and molecular weight 374.25 g/mol. IUPAC: [(16S,17R)-16-hydroxy-13-methyl-3-oxo-16-propyl-1,2,6,7,8,9,10,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 16-Hydroxy-3-oxo-16-propylestr-4-en-17-yl acetate
Property Insights of 16-Hydroxy-3-oxo-16-propylestr-4-en-17-yl acetate
The XLogP value of 3.3 indicates that 16-Hydroxy-3-oxo-16-propylestr-4-en-17-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 16-Hydroxy-3-oxo-16-propylestr-4-en-17-yl acetate. Following Lipinski's Rule of Five, 16-Hydroxy-3-oxo-16-propylestr-4-en-17-yl acetate has 1 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 16-Hydroxy-3-oxo-16-propylestr-4-en-17-yl acetate?
The CAS number of 16-Hydroxy-3-oxo-16-propylestr-4-en-17-yl acetate is 97831-31-7.
What is the molecular formula of 16-Hydroxy-3-oxo-16-propylestr-4-en-17-yl acetate?
The molecular formula of 16-Hydroxy-3-oxo-16-propylestr-4-en-17-yl acetate is C23H34O4.
What is the molecular weight of 16-Hydroxy-3-oxo-16-propylestr-4-en-17-yl acetate?
The molecular weight of 16-Hydroxy-3-oxo-16-propylestr-4-en-17-yl acetate is 374.25 g/mol.
Where can I buy 16-Hydroxy-3-oxo-16-propylestr-4-en-17-yl acetate?
You can request a quote for 16-Hydroxy-3-oxo-16-propylestr-4-en-17-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Hydroxy-3-oxo-16-propylestr-4-en-17-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 16-Hydroxy-3-oxo-16-propylestr-4-en-17-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.