ChemDiv1_002868
TL;DR: ChemDiv1_002868 (CAS 442536-74-5) is a chemical compound with molecular formula C26H22FN3O4S and molecular weight 491.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(4-fluorophenyl)imino-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: ChemDiv1_002868, A2657/0113261, 4-[[2-(4-fluorophenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid, (Z)-4-(2-((4-fluorophenyl)imino)-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxamido)benzoic acid, 4-({[(2Z)-2-[(4-fluorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinan-6-yl]carbonyl}amino)benzoic acid
| Molecular Formula | C26H22FN3O4S |
|---|---|
| Molecular Weight | 491.13 g/mol |
| LogP | 4.7269 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.1315 |
| Heavy Atoms | 35 |
| Complexity | 1247.8533 |
Chemical Identifiers
| CAS Number | 442536-74-5 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=C(C=C2)F)N(C1=O)CCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
ChemDiv1_002868 (CAS 442536-74-5), with molecular formula C26H22FN3O4S and molecular weight 491.13 g/mol. IUPAC: 4-[[2-(4-fluorophenyl)imino-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of ChemDiv1_002868
Property Insights of ChemDiv1_002868
The XLogP value of 4.7269 indicates that ChemDiv1_002868 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_002868. Following Lipinski's Rule of Five, ChemDiv1_002868 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_002868?
The CAS number of ChemDiv1_002868 is 442536-74-5.
What is the molecular formula of ChemDiv1_002868?
The molecular formula of ChemDiv1_002868 is C26H22FN3O4S.
What is the molecular weight of ChemDiv1_002868?
The molecular weight of ChemDiv1_002868 is 491.13 g/mol.
Where can I buy ChemDiv1_002868?
You can request a quote for ChemDiv1_002868 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002868?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002868 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.