ChemDiv1_002967
TL;DR: ChemDiv1_002967 (CAS 442536-44-9) is a chemical compound with molecular formula C21H22ClN3O3S and molecular weight 431.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
Also Known As: ChemDiv1_002967, (2E)-N-(3-chloro-4-methylphenyl)-2-[(4-ethoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide, (2Z)-N-(3-chloro-4-methylphenyl)-2-[(4-ethoxyphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide, (Z)-N-(3-chloro-4-methylphenyl)-2-((4-ethoxyphenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide, N-(3-chloro-4-methylphenyl)-2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
| Molecular Formula | C21H22ClN3O3S |
|---|---|
| Molecular Weight | 431.11 g/mol |
| LogP | 4.63722 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.10703 |
| Heavy Atoms | 29 |
| Complexity | 946.68756 |
Chemical Identifiers
| CAS Number | 442536-44-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC(=C(C=C3)C)Cl)C |
Product Overview
ChemDiv1_002967 (CAS 442536-44-9), with molecular formula C21H22ClN3O3S and molecular weight 431.11 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-(4-ethoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of ChemDiv1_002967
Property Insights of ChemDiv1_002967
The XLogP value of 4.63722 indicates that ChemDiv1_002967 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002967. Following Lipinski's Rule of Five, ChemDiv1_002967 has 1 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_002967?
The CAS number of ChemDiv1_002967 is 442536-44-9.
What is the molecular formula of ChemDiv1_002967?
The molecular formula of ChemDiv1_002967 is C21H22ClN3O3S.
What is the molecular weight of ChemDiv1_002967?
The molecular weight of ChemDiv1_002967 is 431.11 g/mol.
Where can I buy ChemDiv1_002967?
You can request a quote for ChemDiv1_002967 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002967?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002967 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.