Biorinil
TL;DR: Biorinil (CAS 35061-93-9) is a chemical compound with molecular formula C23H29FO6 and molecular weight 420.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(9R,11S)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
Also Known As: Biorinil, Predef, Predef 2X, Stavudine (d4T), Predef (Veterinary)
| Molecular Formula | C23H29FO6 |
|---|---|
| Molecular Weight | 420.19 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.19482 |
| Heavy Atoms | 30 |
| Complexity | 879.0 |
Chemical Identifiers
| CAS Number | 35061-93-9 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1(CCC2C1(C[C@@H]([C@]3(C2CCC4=CC(=O)C=CC43C)F)O)C)O |
| InChIKey | ZOCUOMKMBMEYQV-SQCUVOHXSA-N |
Product Overview
Biorinil (CAS 35061-93-9), with molecular formula C23H29FO6 and molecular weight 420.19 g/mol. IUPAC: [2-[(9R,11S)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate.
Chemical Property Profile of Biorinil
Property Insights of Biorinil
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Biorinil. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Biorinil. Following Lipinski's Rule of Five, Biorinil has 2 hydrogen bond donor(s) and 7 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 Biorinil?
The CAS number of Biorinil is 35061-93-9.
What is the molecular formula of Biorinil?
The molecular formula of Biorinil is C23H29FO6.
What is the molecular weight of Biorinil?
The molecular weight of Biorinil is 420.19 g/mol.
Where can I buy Biorinil?
You can request a quote for Biorinil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Biorinil?
Yes, KEHONG BIO provides custom synthesis services for Biorinil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.