ChemDiv1_002961
TL;DR: ChemDiv1_002961 (CAS 442536-29-0) is a chemical compound with molecular formula C24H25N3O6S and molecular weight 483.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(4-ethoxycarbonylphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
Also Known As: ChemDiv1_002961, (E)-ethyl 4-((6-((4-(ethoxycarbonyl)phenyl)carbamoyl)-3-methyl-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate, ethyl 4-[[2-(4-ethoxycarbonylphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate, ETHYL 4-{[(2E)-6-{[4-(ETHOXYCARBONYL)PHENYL]CARBAMOYL}-3-METHYL-4-OXO-1,3-THIAZINAN-2-YLIDENE]AMINO}BENZOATE, ethyl 4-{[(2Z)-6-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate
| Molecular Formula | C24H25N3O6S |
|---|---|
| Molecular Weight | 483.15 g/mol |
| LogP | 3.6301 |
| Topological Polar Surface Area | 114.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.1464 |
| Heavy Atoms | 34 |
| Complexity | 1098.6963 |
Chemical Identifiers
| CAS Number | 442536-29-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)C(=O)OCC)S2)C |
Product Overview
ChemDiv1_002961 (CAS 442536-29-0), with molecular formula C24H25N3O6S and molecular weight 483.15 g/mol. IUPAC: ethyl 4-[[2-(4-ethoxycarbonylphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate.
Chemical Property Profile of ChemDiv1_002961
Property Insights of ChemDiv1_002961
The XLogP value of 3.6301 indicates that ChemDiv1_002961 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_002961. Following Lipinski's Rule of Five, ChemDiv1_002961 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_002961?
The CAS number of ChemDiv1_002961 is 442536-29-0.
What is the molecular formula of ChemDiv1_002961?
The molecular formula of ChemDiv1_002961 is C24H25N3O6S.
What is the molecular weight of ChemDiv1_002961?
The molecular weight of ChemDiv1_002961 is 483.15 g/mol.
Where can I buy ChemDiv1_002961?
You can request a quote for ChemDiv1_002961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002961?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.