ChemDiv1_010254
TL;DR: ChemDiv1_010254 (CAS 442554-95-2) is a chemical compound with molecular formula C20H19Cl2N3O3S and molecular weight 451.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dichlorophenyl)imino-N-(3-ethoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
Also Known As: ChemDiv1_010254, (2Z)-2-[(3,5-dichlorophenyl)imino]-N-(3-ethoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide, (E)-2-((3,5-dichlorophenyl)imino)-N-(3-ethoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide, 2-(3,5-dichlorophenyl)imino-N-(3-ethoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide
| Molecular Formula | C20H19Cl2N3O3S |
|---|---|
| Molecular Weight | 451.05 g/mol |
| LogP | 4.9822 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.05243 |
| Heavy Atoms | 29 |
| Complexity | 947.4877 |
Chemical Identifiers
| CAS Number | 442554-95-2 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)NC(=O)C2CC(=O)N(C(=NC3=CC(=CC(=C3)Cl)Cl)S2)C |
Product Overview
ChemDiv1_010254 (CAS 442554-95-2), with molecular formula C20H19Cl2N3O3S and molecular weight 451.05 g/mol. IUPAC: 2-(3,5-dichlorophenyl)imino-N-(3-ethoxyphenyl)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamide.
Chemical Property Profile of ChemDiv1_010254
Property Insights of ChemDiv1_010254
The XLogP value of 4.9822 indicates that ChemDiv1_010254 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_010254. Following Lipinski's Rule of Five, ChemDiv1_010254 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_010254?
The CAS number of ChemDiv1_010254 is 442554-95-2.
What is the molecular formula of ChemDiv1_010254?
The molecular formula of ChemDiv1_010254 is C20H19Cl2N3O3S.
What is the molecular weight of ChemDiv1_010254?
The molecular weight of ChemDiv1_010254 is 451.05 g/mol.
Where can I buy ChemDiv1_010254?
You can request a quote for ChemDiv1_010254 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010254?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010254 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.