(Z)-ethyl 4-(2-((3-chlorophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoate
TL;DR: (Z)-ethyl 4-(2-((3-chlorophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoate (CAS 470450-29-4) is a chemical compound with molecular formula C21H20ClN3O4S and molecular weight 445.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(3-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
Also Known As: (Z)-ethyl 4-(2-((3-chlorophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoate, Ethyl 4-[[2-(3-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate, ethyl 4-[({(2Z)-2-[(3-chlorophenyl)imino]-3-methyl-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoate, ETHYL 4-[(2Z)-2-[(3-CHLOROPHENYL)IMINO]-3-METHYL-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOATE
| Molecular Formula | C21H20ClN3O4S |
|---|---|
| Molecular Weight | 445.09 g/mol |
| LogP | 4.1068 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.0863 |
| Heavy Atoms | 30 |
| Complexity | 994.0009 |
Chemical Identifiers
| CAS Number | 470450-29-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC(=CC=C3)Cl)S2)C |
Product Overview
(Z)-ethyl 4-(2-((3-chlorophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoate (CAS 470450-29-4), with molecular formula C21H20ClN3O4S and molecular weight 445.09 g/mol. IUPAC: ethyl 4-[[2-(3-chlorophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate.
Chemical Property Profile of (Z)-ethyl 4-(2-((3-chlorophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoate
Property Insights of (Z)-ethyl 4-(2-((3-chlorophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoate
The XLogP value of 4.1068 indicates that (Z)-ethyl 4-(2-((3-chlorophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoate 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 (Z)-ethyl 4-(2-((3-chlorophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoate. Following Lipinski's Rule of Five, (Z)-ethyl 4-(2-((3-chlorophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoate 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 (Z)-ethyl 4-(2-((3-chlorophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoate?
The CAS number of (Z)-ethyl 4-(2-((3-chlorophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoate is 470450-29-4.
What is the molecular formula of (Z)-ethyl 4-(2-((3-chlorophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoate?
The molecular formula of (Z)-ethyl 4-(2-((3-chlorophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoate is C21H20ClN3O4S.
What is the molecular weight of (Z)-ethyl 4-(2-((3-chlorophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoate?
The molecular weight of (Z)-ethyl 4-(2-((3-chlorophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoate is 445.09 g/mol.
Where can I buy (Z)-ethyl 4-(2-((3-chlorophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoate?
You can request a quote for (Z)-ethyl 4-(2-((3-chlorophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-ethyl 4-(2-((3-chlorophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 4-(2-((3-chlorophenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.