ChemDiv1_002921
TL;DR: ChemDiv1_002921 (CAS 384359-49-3) 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.
2-(3-chloro-4-methylphenyl)imino-N-(3-ethoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
Also Known As: ChemDiv1_002921, (2Z)-2-[(3-chloro-4-methylphenyl)imino]-N-(3-ethoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide, (2E)-2-[(3-chloro-4-methylphenyl)imino]-N-(3-ethoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide, (Z)-2-((3-chloro-4-methylphenyl)imino)-N-(3-ethoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide, 2-(3-chloro-4-methylphenyl)imino-N-(3-ethoxyphenyl)-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 | 963.93756 |
Chemical Identifiers
| CAS Number | 384359-49-3 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)NC(=O)C2CC(=O)N(C(=NC3=CC(=C(C=C3)C)Cl)S2)C |
Product Overview
ChemDiv1_002921 (CAS 384359-49-3), with molecular formula C21H22ClN3O3S and molecular weight 431.11 g/mol. IUPAC: 2-(3-chloro-4-methylphenyl)imino-N-(3-ethoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of ChemDiv1_002921
Property Insights of ChemDiv1_002921
The XLogP value of 4.63722 indicates that ChemDiv1_002921 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_002921. Following Lipinski's Rule of Five, ChemDiv1_002921 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_002921?
The CAS number of ChemDiv1_002921 is 384359-49-3.
What is the molecular formula of ChemDiv1_002921?
The molecular formula of ChemDiv1_002921 is C21H22ClN3O3S.
What is the molecular weight of ChemDiv1_002921?
The molecular weight of ChemDiv1_002921 is 431.11 g/mol.
Where can I buy ChemDiv1_002921?
You can request a quote for ChemDiv1_002921 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002921?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002921 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.