ChemDiv1_002915
TL;DR: ChemDiv1_002915 (CAS 335419-32-4) is a chemical compound with molecular formula C22H23N3O4S and molecular weight 425.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-methyl-6-[(3-methylphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
Also Known As: ChemDiv1_002915, BAS 02239060, ethyl 4-({(2Z)-3-methyl-6-[(3-methylphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate, (E)-ethyl 4-((3-methyl-4-oxo-6-(m-tolylcarbamoyl)-1,3-thiazinan-2-ylidene)amino)benzoate, ethyl 4-{[3-methyl-4-oxo-6-(3-toluidinocarbonyl)-1,3-thiazinan-2-ylidene]amino}benzoate
| Molecular Formula | C22H23N3O4S |
|---|---|
| Molecular Weight | 425.14 g/mol |
| LogP | 3.76182 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.14093 |
| Heavy Atoms | 30 |
| Complexity | 988.1321 |
Chemical Identifiers
| CAS Number | 335419-32-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=CC(=C3)C)C |
Product Overview
ChemDiv1_002915 (CAS 335419-32-4), with molecular formula C22H23N3O4S and molecular weight 425.14 g/mol. IUPAC: ethyl 4-[[3-methyl-6-[(3-methylphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate.
Chemical Property Profile of ChemDiv1_002915
Property Insights of ChemDiv1_002915
The XLogP value of 3.76182 indicates that ChemDiv1_002915 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_002915. Following Lipinski's Rule of Five, ChemDiv1_002915 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_002915?
The CAS number of ChemDiv1_002915 is 335419-32-4.
What is the molecular formula of ChemDiv1_002915?
The molecular formula of ChemDiv1_002915 is C22H23N3O4S.
What is the molecular weight of ChemDiv1_002915?
The molecular weight of ChemDiv1_002915 is 425.14 g/mol.
Where can I buy ChemDiv1_002915?
You can request a quote for ChemDiv1_002915 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002915?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002915 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.