ChemDiv1_003002
TL;DR: ChemDiv1_003002 (CAS 442536-80-3) is a chemical compound with molecular formula C25H20ClN3O4S and molecular weight 493.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
Also Known As: ChemDiv1_003002, A2657/0113253, 4-[({(2Z)-3-benzyl-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoic acid, (Z)-4-(3-benzyl-2-((4-chlorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamido)benzoic acid, 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid
| Molecular Formula | C25H20ClN3O4S |
|---|---|
| Molecular Weight | 493.09 g/mol |
| LogP | 5.1987 |
| Topological Polar Surface Area | 99.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.0863 |
| Heavy Atoms | 34 |
| Complexity | 1231.2803 |
Chemical Identifiers
| CAS Number | 442536-80-3 |
|---|---|
| SMILES | C1C(SC(=NC2=CC=C(C=C2)Cl)N(C1=O)CC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)O |
Product Overview
ChemDiv1_003002 (CAS 442536-80-3), with molecular formula C25H20ClN3O4S and molecular weight 493.09 g/mol. IUPAC: 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid.
Chemical Property Profile of ChemDiv1_003002
Property Insights of ChemDiv1_003002
The XLogP value of 5.1987 indicates that ChemDiv1_003002 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_003002. Following Lipinski's Rule of Five, ChemDiv1_003002 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_003002?
The CAS number of ChemDiv1_003002 is 442536-80-3.
What is the molecular formula of ChemDiv1_003002?
The molecular formula of ChemDiv1_003002 is C25H20ClN3O4S.
What is the molecular weight of ChemDiv1_003002?
The molecular weight of ChemDiv1_003002 is 493.09 g/mol.
Where can I buy ChemDiv1_003002?
You can request a quote for ChemDiv1_003002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003002?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.