Fenitropan
TL;DR: Fenitropan (CAS 65934-95-4) is a chemical compound with molecular formula C13H15NO6 and molecular weight 281.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S)-3-acetyloxy-2-nitro-3-phenylpropyl] acetate
Also Known As: Fenitropan, Fenitropane, Fenitropan [BSI:ISO], Fenitropane [ISO-French], (1s,2r)-3-(acetyloxy)-2-nitro-1-phenylpropyl acetate
| Molecular Formula | C13H15NO6 |
|---|---|
| Molecular Weight | 281.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 281.08994 |
| Heavy Atoms | 20 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 65934-95-4 |
|---|---|
| SMILES | CC(=O)OC[C@H]([C@H](C1=CC=CC=C1)OC(=O)C)[N+](=O)[O-] |
| InChIKey | AYBALPYBYZFKDS-OLZOCXBDSA-N |
Product Overview
Fenitropan (CAS 65934-95-4), with molecular formula C13H15NO6 and molecular weight 281.09 g/mol. IUPAC: [(2R,3S)-3-acetyloxy-2-nitro-3-phenylpropyl] acetate.
Chemical Property Profile of Fenitropan
Property Insights of Fenitropan
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fenitropan. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Fenitropan. Following Lipinski's Rule of Five, Fenitropan has 0 hydrogen bond donor(s) and 6 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 Fenitropan?
The CAS number of Fenitropan is 65934-95-4.
What is the molecular formula of Fenitropan?
The molecular formula of Fenitropan is C13H15NO6.
What is the molecular weight of Fenitropan?
The molecular weight of Fenitropan is 281.09 g/mol.
Where can I buy Fenitropan?
You can request a quote for Fenitropan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fenitropan?
Yes, KEHONG BIO provides custom synthesis services for Fenitropan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.