ChemDiv1_002831
TL;DR: ChemDiv1_002831 (CAS 442536-34-7) is a chemical compound with molecular formula C23H23N3O6S and molecular weight 469.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(4-methoxycarbonylphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
Also Known As: ChemDiv1_002831, (Z)-ethyl 4-(2-((4-(methoxycarbonyl)phenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoate, METHYL 4-{[(2E)-6-{[4-(ETHOXYCARBONYL)PHENYL]CARBAMOYL}-3-METHYL-4-OXO-1,3-THIAZINAN-2-YLIDENE]AMINO}BENZOATE, methyl 4-{[(2Z)-6-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate, ETHYL 4-[(2Z)-2-{[4-(METHOXYCARBONYL)PHENYL]IMINO}-3-METHYL-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOATE
| Molecular Formula | C23H23N3O6S |
|---|---|
| Molecular Weight | 469.13 g/mol |
| LogP | 3.24 |
| Topological Polar Surface Area | 114.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.13077 |
| Heavy Atoms | 33 |
| Complexity | 1082.3805 |
Chemical Identifiers
| CAS Number | 442536-34-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)C(=O)OC)S2)C |
Product Overview
ChemDiv1_002831 (CAS 442536-34-7), with molecular formula C23H23N3O6S and molecular weight 469.13 g/mol. IUPAC: ethyl 4-[[2-(4-methoxycarbonylphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate.
Chemical Property Profile of ChemDiv1_002831
Property Insights of ChemDiv1_002831
The XLogP value of 3.24 indicates that ChemDiv1_002831 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.37 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002831. Following Lipinski's Rule of Five, ChemDiv1_002831 has 1 hydrogen bond donor(s) and 8 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_002831?
The CAS number of ChemDiv1_002831 is 442536-34-7.
What is the molecular formula of ChemDiv1_002831?
The molecular formula of ChemDiv1_002831 is C23H23N3O6S.
What is the molecular weight of ChemDiv1_002831?
The molecular weight of ChemDiv1_002831 is 469.13 g/mol.
Where can I buy ChemDiv1_002831?
You can request a quote for ChemDiv1_002831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002831?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.