ChemDiv1_003095
TL;DR: ChemDiv1_003095 (CAS 385386-09-4) is a chemical compound with molecular formula C22H22ClN3O4S and molecular weight 459.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(3-chloro-4-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
Also Known As: ChemDiv1_003095, (Z)-ethyl 4-(2-((3-chloro-4-methylphenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoate, ethyl 4-[({(2Z)-2-[(3-chloro-4-methylphenyl)imino]-3-methyl-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoate, ETHYL 4-[(2E)-2-[(3-CHLORO-4-METHYLPHENYL)IMINO]-3-METHYL-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOATE, ethyl 4-[[2-(3-chloro-4-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
| Molecular Formula | C22H22ClN3O4S |
|---|---|
| Molecular Weight | 459.10 g/mol |
| LogP | 4.41522 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.10196 |
| Heavy Atoms | 31 |
| Complexity | 1039.5516 |
Chemical Identifiers
| CAS Number | 385386-09-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC(=C(C=C3)C)Cl)S2)C |
Product Overview
ChemDiv1_003095 (CAS 385386-09-4), with molecular formula C22H22ClN3O4S and molecular weight 459.10 g/mol. IUPAC: ethyl 4-[[2-(3-chloro-4-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate.
Chemical Property Profile of ChemDiv1_003095
Property Insights of ChemDiv1_003095
The XLogP value of 4.41522 indicates that ChemDiv1_003095 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003095. Following Lipinski's Rule of Five, ChemDiv1_003095 has 1 hydrogen bond donor(s) and 6 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_003095?
The CAS number of ChemDiv1_003095 is 385386-09-4.
What is the molecular formula of ChemDiv1_003095?
The molecular formula of ChemDiv1_003095 is C22H22ClN3O4S.
What is the molecular weight of ChemDiv1_003095?
The molecular weight of ChemDiv1_003095 is 459.10 g/mol.
Where can I buy ChemDiv1_003095?
You can request a quote for ChemDiv1_003095 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003095?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003095 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.