![3-[[2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid structure](/static/products/6135/6135-71-3.webp)
3-[[2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
TL;DR: 3-[[2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid (CAS 6135-71-3) is a chemical compound with molecular formula C25H19F2N3O4S and molecular weight 495.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: 3-[[2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid, 3-{(2Z)-2-[(4-Fluorophenyl)imino]-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carboxamido}benzoic acid
| Molecular Formula | C25H19F2N3O4S |
|---|---|
| Molecular Weight | 495.11 g/mol |
| LogP | 4.8235 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.10645 |
| Heavy Atoms | 35 |
| Complexity | 1296.8239 |
Chemical Identifiers
| CAS Number | 6135-71-3 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=C(C=C2)F)N(C1=O)CC3=CC=C(C=C3)F)C(=O)NC4=CC=CC(=C4)C(=O)O |
Product Overview
3-[[2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid (CAS 6135-71-3), with molecular formula C25H19F2N3O4S and molecular weight 495.11 g/mol. IUPAC: 3-[[2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of 3-[[2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Property Insights of 3-[[2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
The XLogP value of 4.8235 indicates that 3-[[2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid. Following Lipinski's Rule of Five, 3-[[2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid 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 3-[[2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid?
The CAS number of 3-[[2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid is 6135-71-3.
What is the molecular formula of 3-[[2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid?
The molecular formula of 3-[[2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid is C25H19F2N3O4S.
What is the molecular weight of 3-[[2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid?
The molecular weight of 3-[[2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid is 495.11 g/mol.
Where can I buy 3-[[2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid?
You can request a quote for 3-[[2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[2-(4-fluorophenyl)imino-3-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.