ChemDiv1_003051
TL;DR: ChemDiv1_003051 (CAS 442536-36-9) is a chemical compound with molecular formula C23H25N3O4S and molecular weight 439.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(3,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
Also Known As: ChemDiv1_003051, ethyl 4-[({(2Z)-2-[(3,4-dimethylphenyl)imino]-3-methyl-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoate, (E)-ethyl 4-(2-((3,4-dimethylphenyl)imino)-3-methyl-4-oxo-1,3-thiazinane-6-carboxamido)benzoate, ETHYL 4-[(2E)-2-[(3,4-DIMETHYLPHENYL)IMINO]-3-METHYL-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOATE, ETHYL 4-[(2Z)-2-[(3,4-DIMETHYLPHENYL)IMINO]-3-METHYL-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOATE
| Molecular Formula | C23H25N3O4S |
|---|---|
| Molecular Weight | 439.16 g/mol |
| LogP | 4.07024 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.1566 |
| Heavy Atoms | 31 |
| Complexity | 1033.6172 |
Chemical Identifiers
| CAS Number | 442536-36-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC(=C(C=C3)C)C)S2)C |
Product Overview
ChemDiv1_003051 (CAS 442536-36-9), with molecular formula C23H25N3O4S and molecular weight 439.16 g/mol. IUPAC: ethyl 4-[[2-(3,4-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate.
Chemical Property Profile of ChemDiv1_003051
Property Insights of ChemDiv1_003051
The XLogP value of 4.07024 indicates that ChemDiv1_003051 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_003051. Following Lipinski's Rule of Five, ChemDiv1_003051 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_003051?
The CAS number of ChemDiv1_003051 is 442536-36-9.
What is the molecular formula of ChemDiv1_003051?
The molecular formula of ChemDiv1_003051 is C23H25N3O4S.
What is the molecular weight of ChemDiv1_003051?
The molecular weight of ChemDiv1_003051 is 439.16 g/mol.
Where can I buy ChemDiv1_003051?
You can request a quote for ChemDiv1_003051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003051?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.