ChemDiv1_002914
TL;DR: ChemDiv1_002914 (CAS 442536-78-9) is a chemical compound with molecular formula C25H20FN3O4S and molecular weight 477.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: ChemDiv1_002914, A2656/0113192, 4-[({(2Z)-3-benzyl-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid, 4-[(2Z)-3-BENZYL-2-[(4-FLUOROPHENYL)IMINO]-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOIC ACID, (Z)-4-(3-benzyl-2-((4-fluorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid
| Molecular Formula | C25H20FN3O4S |
|---|---|
| Molecular Weight | 477.12 g/mol |
| LogP | 4.6844 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.11584 |
| Heavy Atoms | 34 |
| Complexity | 1231.2803 |
Chemical Identifiers
| CAS Number | 442536-78-9 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=C(C=C2)F)N(C1=O)CC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
ChemDiv1_002914 (CAS 442536-78-9), with molecular formula C25H20FN3O4S and molecular weight 477.12 g/mol. IUPAC: 4-[[3-benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of ChemDiv1_002914
Property Insights of ChemDiv1_002914
The XLogP value of 4.6844 indicates that ChemDiv1_002914 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 ChemDiv1_002914. Following Lipinski's Rule of Five, ChemDiv1_002914 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 ChemDiv1_002914?
The CAS number of ChemDiv1_002914 is 442536-78-9.
What is the molecular formula of ChemDiv1_002914?
The molecular formula of ChemDiv1_002914 is C25H20FN3O4S.
What is the molecular weight of ChemDiv1_002914?
The molecular weight of ChemDiv1_002914 is 477.12 g/mol.
Where can I buy ChemDiv1_002914?
You can request a quote for ChemDiv1_002914 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002914?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002914 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.