ChemDiv1_020862
TL;DR: ChemDiv1_020862 (CAS 330158-89-9) is a chemical compound with molecular formula C19H10Cl2N4S and molecular weight 396.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-(2,4-dichlorophenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile
Also Known As: ChemDiv1_020862, BAS 01108218, 1-amino-3-(2,4-dichlorophenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile, 1-amino-3-(2,4-dichlorophenyl)-3H-benzo[4,5]thiazolo[3,2-a]pyridine-2,4-dicarbonitrile, 4-Amino-2-(2,4-dichloro-phenyl)-2H-9-thia-4a-aza-fluorene-1,3-dicarbonitrile
| Molecular Formula | C19H10Cl2N4S |
|---|---|
| Molecular Weight | 396.00 g/mol |
| LogP | 5.13196 |
| Topological Polar Surface Area | 76.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 396.00034 |
| Heavy Atoms | 26 |
| Complexity | 1091.4485 |
Chemical Identifiers
| CAS Number | 330158-89-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=C(C(C(=C3S2)C#N)C4=C(C=C(C=C4)Cl)Cl)C#N)N |
Product Overview
ChemDiv1_020862 (CAS 330158-89-9), with molecular formula C19H10Cl2N4S and molecular weight 396.00 g/mol. IUPAC: 1-amino-3-(2,4-dichlorophenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile.
Chemical Property Profile of ChemDiv1_020862
Property Insights of ChemDiv1_020862
The XLogP value of 5.13196 indicates that ChemDiv1_020862 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.84 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020862. Following Lipinski's Rule of Five, ChemDiv1_020862 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_020862?
The CAS number of ChemDiv1_020862 is 330158-89-9.
What is the molecular formula of ChemDiv1_020862?
The molecular formula of ChemDiv1_020862 is C19H10Cl2N4S.
What is the molecular weight of ChemDiv1_020862?
The molecular weight of ChemDiv1_020862 is 396.00 g/mol.
Where can I buy ChemDiv1_020862?
You can request a quote for ChemDiv1_020862 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020862?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020862 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.