ChemDiv1_010212
TL;DR: ChemDiv1_010212 (CAS 401932-99-8) 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.
methyl 4-[[6-[(3-chlorophenyl)carbamoyl]-3-ethyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
Also Known As: ChemDiv1_010212, BAS 02280697, (Z)-methyl 4-((6-((3-chlorophenyl)carbamoyl)-3-ethyl-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate, methyl 4-({(2Z)-6-[(3-chlorophenyl)carbamoyl]-3-ethyl-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate, methyl 4-({6-[N-(3-chlorophenyl)carbamoyl]-3-ethyl-4-oxo-1,3-thiazaperhydroin- 2-ylidene}azamethyl)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 | 401932-99-8 |
|---|---|
| SMILES | CCN1C(=O)CC(SC1=NC2=CC=C(C=C2)C(=O)OC)C(=O)NC3=CC(=CC=C3)Cl |
Product Overview
ChemDiv1_010212 (CAS 401932-99-8), with molecular formula C21H20ClN3O4S and molecular weight 445.09 g/mol. IUPAC: methyl 4-[[6-[(3-chlorophenyl)carbamoyl]-3-ethyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate.
Chemical Property Profile of ChemDiv1_010212
Property Insights of ChemDiv1_010212
The XLogP value of 4.1068 indicates that ChemDiv1_010212 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_010212. Following Lipinski's Rule of Five, ChemDiv1_010212 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_010212?
The CAS number of ChemDiv1_010212 is 401932-99-8.
What is the molecular formula of ChemDiv1_010212?
The molecular formula of ChemDiv1_010212 is C21H20ClN3O4S.
What is the molecular weight of ChemDiv1_010212?
The molecular weight of ChemDiv1_010212 is 445.09 g/mol.
Where can I buy ChemDiv1_010212?
You can request a quote for ChemDiv1_010212 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010212?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010212 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.