BAS 00417544
TL;DR: BAS 00417544 (CAS 76648-60-7) is a chemical compound with molecular formula C23H34O5 and molecular weight 390.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
Also Known As: BAS 00417544, 3,17-dihydroxy-20-oxopregn-5-en-21-yl acetate, BRD-A10087667-001-01-4, [2-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate, Pregn-5-en-20-one, 21-(acetyloxy)-3,17-dihydroxy-, (3beta,17alpha)-
| Molecular Formula | C23H34O5 |
|---|---|
| Molecular Weight | 390.24 g/mol |
| LogP | 3.1734 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.24063 |
| Heavy Atoms | 28 |
| Complexity | 713.78125 |
Chemical Identifiers
| CAS Number | 76648-60-7 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1(CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O |
Product Overview
BAS 00417544 (CAS 76648-60-7), with molecular formula C23H34O5 and molecular weight 390.24 g/mol. IUPAC: [2-(3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate.
Chemical Property Profile of BAS 00417544
Property Insights of BAS 00417544
The XLogP value of 3.1734 indicates that BAS 00417544 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00417544. Following Lipinski's Rule of Five, BAS 00417544 has 2 hydrogen bond donor(s) and 5 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 BAS 00417544?
The CAS number of BAS 00417544 is 76648-60-7.
What is the molecular formula of BAS 00417544?
The molecular formula of BAS 00417544 is C23H34O5.
What is the molecular weight of BAS 00417544?
The molecular weight of BAS 00417544 is 390.24 g/mol.
Where can I buy BAS 00417544?
You can request a quote for BAS 00417544 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00417544?
Yes, KEHONG BIO provides custom synthesis services for BAS 00417544 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.