![3-[(2-aminophenyl)sulfanylmethyl]-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile structure](/static/products/547/5471-14-7.png)
3-[(2-aminophenyl)sulfanylmethyl]-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile
TL;DR: 3-[(2-aminophenyl)sulfanylmethyl]-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile (CAS 5471-14-7) is a chemical compound with molecular formula C19H13N3OS2 and molecular weight 363.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-aminophenyl)sulfanylmethyl]-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile
Also Known As: 3-[(2-aminophenyl)sulfanylmethyl]-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile
| Molecular Formula | C19H13N3OS2 |
|---|---|
| Molecular Weight | 363.05 g/mol |
| LogP | 4.26038 |
| Topological Polar Surface Area | 71.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.05002 |
| Heavy Atoms | 25 |
| Complexity | 1200.9564 |
Chemical Identifiers
| CAS Number | 5471-14-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)SCC2=CC(=O)N3C4=CC=CC=C4SC3=C2C#N |
Product Overview
3-[(2-aminophenyl)sulfanylmethyl]-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile (CAS 5471-14-7), with molecular formula C19H13N3OS2 and molecular weight 363.05 g/mol. IUPAC: 3-[(2-aminophenyl)sulfanylmethyl]-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile.
Chemical Property Profile of 3-[(2-aminophenyl)sulfanylmethyl]-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile
Property Insights of 3-[(2-aminophenyl)sulfanylmethyl]-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile
The XLogP value of 4.26038 indicates that 3-[(2-aminophenyl)sulfanylmethyl]-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-aminophenyl)sulfanylmethyl]-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile. Following Lipinski's Rule of Five, 3-[(2-aminophenyl)sulfanylmethyl]-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile 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 3-[(2-aminophenyl)sulfanylmethyl]-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile?
The CAS number of 3-[(2-aminophenyl)sulfanylmethyl]-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile is 5471-14-7.
What is the molecular formula of 3-[(2-aminophenyl)sulfanylmethyl]-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile?
The molecular formula of 3-[(2-aminophenyl)sulfanylmethyl]-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile is C19H13N3OS2.
What is the molecular weight of 3-[(2-aminophenyl)sulfanylmethyl]-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile?
The molecular weight of 3-[(2-aminophenyl)sulfanylmethyl]-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile is 363.05 g/mol.
Where can I buy 3-[(2-aminophenyl)sulfanylmethyl]-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile?
You can request a quote for 3-[(2-aminophenyl)sulfanylmethyl]-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-aminophenyl)sulfanylmethyl]-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-aminophenyl)sulfanylmethyl]-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.