ChemDiv1_020816
TL;DR: ChemDiv1_020816 (CAS 330158-85-5) is a chemical compound with molecular formula C19H10ClFN4S and molecular weight 380.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-(2-chloro-6-fluorophenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile
Also Known As: ChemDiv1_020816, BAS 01108217, 1-Amino-3-(2-chloro-6-fluorophenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile, 3H-Pyrido[2,1-b]benzothiazole-2,4-dicarbonitrile, 1-amino-3-(2-chloro-6-fluorophenyl)-, 1-amino-3-(2-chloro-6-fluorophenyl)-3,10-dihydropyridino[2,1-b]benzothiazole-2 ,4-dicarbonitrile
| Molecular Formula | C19H10ClFN4S |
|---|---|
| Molecular Weight | 380.03 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 380.02988 |
| Heavy Atoms | 26 |
| Complexity | 775.0 |
Chemical Identifiers
| CAS Number | 330158-85-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=C(C(C(=C3S2)C#N)C4=C(C=CC=C4Cl)F)C#N)N |
| InChIKey | FYVQRJMFFPQFJF-UHFFFAOYSA-N |
Product Overview
ChemDiv1_020816 (CAS 330158-85-5), with molecular formula C19H10ClFN4S and molecular weight 380.03 g/mol. IUPAC: 1-amino-3-(2-chloro-6-fluorophenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile.
Chemical Property Profile of ChemDiv1_020816
Property Insights of ChemDiv1_020816
The XLogP value of 4.4 indicates that ChemDiv1_020816 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020816. Following Lipinski's Rule of Five, ChemDiv1_020816 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_020816?
The CAS number of ChemDiv1_020816 is 330158-85-5.
What is the molecular formula of ChemDiv1_020816?
The molecular formula of ChemDiv1_020816 is C19H10ClFN4S.
What is the molecular weight of ChemDiv1_020816?
The molecular weight of ChemDiv1_020816 is 380.03 g/mol.
Where can I buy ChemDiv1_020816?
You can request a quote for ChemDiv1_020816 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020816?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020816 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.