ChemDiv1_020864
TL;DR: ChemDiv1_020864 (CAS 330158-91-3) is a chemical compound with molecular formula C22H18N4S and molecular weight 370.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-(4-propan-2-ylphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile
Also Known As: ChemDiv1_020864, 1-amino-3-[4-(propan-2-yl)phenyl]-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile, 1-amino-3-(4-isopropylphenyl)-3H-benzo[4,5]thiazolo[3,2-a]pyridine-2,4-dicarbonitrile, 1-amino-3-(4-propan-2-ylphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile, 4-Amino-2-(4-isopropyl-phenyl)-2H-9-thia-4a-aza-fluorene-1,3-dicarbonitrile
| Molecular Formula | C22H18N4S |
|---|---|
| Molecular Weight | 370.13 g/mol |
| LogP | 4.94856 |
| Topological Polar Surface Area | 76.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.1252 |
| Heavy Atoms | 27 |
| Complexity | 1064.727 |
Chemical Identifiers
| CAS Number | 330158-91-3 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C2C(=C(N3C4=CC=CC=C4SC3=C2C#N)N)C#N |
Product Overview
ChemDiv1_020864 (CAS 330158-91-3), with molecular formula C22H18N4S and molecular weight 370.13 g/mol. IUPAC: 1-amino-3-(4-propan-2-ylphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile.
Chemical Property Profile of ChemDiv1_020864
Property Insights of ChemDiv1_020864
The XLogP value of 4.94856 indicates that ChemDiv1_020864 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_020864. Following Lipinski's Rule of Five, ChemDiv1_020864 has 1 hydrogen bond donor(s) and 5 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_020864?
The CAS number of ChemDiv1_020864 is 330158-91-3.
What is the molecular formula of ChemDiv1_020864?
The molecular formula of ChemDiv1_020864 is C22H18N4S.
What is the molecular weight of ChemDiv1_020864?
The molecular weight of ChemDiv1_020864 is 370.13 g/mol.
Where can I buy ChemDiv1_020864?
You can request a quote for ChemDiv1_020864 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020864?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.