ChemDiv1_020904
TL;DR: ChemDiv1_020904 (CAS 85460-35-1) is a chemical compound with molecular formula C20H14N4OS and molecular weight 358.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-(4-methoxyphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile
Also Known As: ChemDiv1_020904, BAS 01108261, 1-amino-3-(4-methoxyphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile, 1-amino-3-(4-methoxyphenyl)-3H-benzo[4,5]thiazolo[3,2-a]pyridine-2,4-dicarbonitrile, 4-Amino-2-(4-methoxy-phenyl)-2H-9-thia-4a-aza-fluorene-1,3-dicarbonitrile
| Molecular Formula | C20H14N4OS |
|---|---|
| Molecular Weight | 358.09 g/mol |
| LogP | 3.83376 |
| Topological Polar Surface Area | 86.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.08884 |
| Heavy Atoms | 26 |
| Complexity | 1040.7162 |
Chemical Identifiers
| CAS Number | 85460-35-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C(=C(N3C4=CC=CC=C4SC3=C2C#N)N)C#N |
Product Overview
ChemDiv1_020904 (CAS 85460-35-1), with molecular formula C20H14N4OS and molecular weight 358.09 g/mol. IUPAC: 1-amino-3-(4-methoxyphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile.
Chemical Property Profile of ChemDiv1_020904
Property Insights of ChemDiv1_020904
The XLogP value of 3.83376 indicates that ChemDiv1_020904 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.07 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020904. Following Lipinski's Rule of Five, ChemDiv1_020904 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_020904?
The CAS number of ChemDiv1_020904 is 85460-35-1.
What is the molecular formula of ChemDiv1_020904?
The molecular formula of ChemDiv1_020904 is C20H14N4OS.
What is the molecular weight of ChemDiv1_020904?
The molecular weight of ChemDiv1_020904 is 358.09 g/mol.
Where can I buy ChemDiv1_020904?
You can request a quote for ChemDiv1_020904 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020904?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020904 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.