![3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate structure](/static/products/1397/1397003-85-8.webp)
3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate
TL;DR: 3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate (CAS 1397003-85-8) is a chemical compound with molecular formula C26H20FNO6 and molecular weight 461.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-fluorophenyl)-4-oxochromen-7-yl] 2-(phenylmethoxycarbonylamino)propanoate
Also Known As: TimTec1_005601, 3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate, [3-(4-fluorophenyl)-4-oxochromen-7-yl] 2-(phenylmethoxycarbonylamino)propanoate, 3-(4-Fluorophenyl)-4-oxo-4H-1-benzopyran-7-yl N-[(benzyloxy)carbonyl]alaninate, 3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)propanoate
| Molecular Formula | C26H20FNO6 |
|---|---|
| Molecular Weight | 461.13 g/mol |
| LogP | 4.8194 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.12747 |
| Heavy Atoms | 34 |
| Complexity | 1382.3376 |
Chemical Identifiers
| CAS Number | 1397003-85-8 |
|---|---|
| SMILES | CC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)F)NC(=O)OCC4=CC=CC=C4 |
Product Overview
3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate (CAS 1397003-85-8), with molecular formula C26H20FNO6 and molecular weight 461.13 g/mol. IUPAC: [3-(4-fluorophenyl)-4-oxochromen-7-yl] 2-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of 3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate
Property Insights of 3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate
The XLogP value of 4.8194 indicates that 3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate. Following Lipinski's Rule of Five, 3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate has 1 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 3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate?
The CAS number of 3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate is 1397003-85-8.
What is the molecular formula of 3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate?
The molecular formula of 3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate is C26H20FNO6.
What is the molecular weight of 3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate?
The molecular weight of 3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate is 461.13 g/mol.
Where can I buy 3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate?
You can request a quote for 3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-fluorophenyl)-4-oxo-4H-chromen-7-yl N-[(benzyloxy)carbonyl]alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.