ChemDiv1_010298
TL;DR: ChemDiv1_010298 (CAS 333328-11-3) is a chemical compound with molecular formula C21H20FN3O4S and molecular weight 429.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[6-[(2-fluorophenyl)carbamoyl]-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate
Also Known As: ChemDiv1_010298, BAS 02239433, (Z)-ethyl 4-((6-((2-fluorophenyl)carbamoyl)-3-methyl-4-oxo-1,3-thiazinan-2-ylidene)amino)benzoate, ethyl 4-({(2Z)-6-[(2-fluorophenyl)carbamoyl]-3-methyl-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate, ETHYL 4-{[(2Z)-6-[(2-FLUOROPHENYL)CARBAMOYL]-3-METHYL-4-OXO-1,3-THIAZINAN-2-YLIDENE]AMINO}BENZOATE
| Molecular Formula | C21H20FN3O4S |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 3.5925 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.11584 |
| Heavy Atoms | 30 |
| Complexity | 994.0009 |
Chemical Identifiers
| CAS Number | 333328-11-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=CC=C3F)C |
Product Overview
ChemDiv1_010298 (CAS 333328-11-3), with molecular formula C21H20FN3O4S and molecular weight 429.12 g/mol. IUPAC: ethyl 4-[[6-[(2-fluorophenyl)carbamoyl]-3-methyl-4-oxo-1,3-thiazinan-2-ylidene]amino]benzoate.
Chemical Property Profile of ChemDiv1_010298
Property Insights of ChemDiv1_010298
The XLogP value of 3.5925 indicates that ChemDiv1_010298 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_010298. Following Lipinski's Rule of Five, ChemDiv1_010298 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_010298?
The CAS number of ChemDiv1_010298 is 333328-11-3.
What is the molecular formula of ChemDiv1_010298?
The molecular formula of ChemDiv1_010298 is C21H20FN3O4S.
What is the molecular weight of ChemDiv1_010298?
The molecular weight of ChemDiv1_010298 is 429.12 g/mol.
Where can I buy ChemDiv1_010298?
You can request a quote for ChemDiv1_010298 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010298?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010298 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.