ChemDiv1_002873
TL;DR: ChemDiv1_002873 (CAS 384798-79-2) 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-[[6-[(2-chlorophenyl)carbamoyl]-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
Also Known As: ChemDiv1_002873, (Z)-ethyl 4-((6-((2-chlorophenyl)carbamoyl)-3-methyl-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate, ETHYL 4-{[(2E)-6-[(2-CHLOROPHENYL)CARBAMOYL]-3-METHYL-4-OXO-1,3-THIAZINAN-2-YLIDENE]AMINO}BENZOATE, ethyl 4-({(2Z)-6-[(2-chlorophenyl)carbamoyl]-3-methyl-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate, ethyl 4-[[6-[(2-chlorophenyl)carbamoyl]-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino]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 | 384798-79-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=CC=C3Cl)C |
Product Overview
ChemDiv1_002873 (CAS 384798-79-2), with molecular formula C21H20ClN3O4S and molecular weight 445.09 g/mol. IUPAC: ethyl 4-[[6-[(2-chlorophenyl)carbamoyl]-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate.
Chemical Property Profile of ChemDiv1_002873
Property Insights of ChemDiv1_002873
The XLogP value of 4.1068 indicates that ChemDiv1_002873 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_002873. Following Lipinski's Rule of Five, ChemDiv1_002873 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_002873?
The CAS number of ChemDiv1_002873 is 384798-79-2.
What is the molecular formula of ChemDiv1_002873?
The molecular formula of ChemDiv1_002873 is C21H20ClN3O4S.
What is the molecular weight of ChemDiv1_002873?
The molecular weight of ChemDiv1_002873 is 445.09 g/mol.
Where can I buy ChemDiv1_002873?
You can request a quote for ChemDiv1_002873 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002873?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002873 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.