![3-(chloromethyl)-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile structure](/static/products/7337/733762-45-3.webp)
3-(chloromethyl)-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile
TL;DR: 3-(chloromethyl)-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile (CAS 733762-45-3) is a chemical compound with molecular formula C13H7ClN2OS and molecular weight 274.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile
Also Known As: 11-(Chloromethyl)-13-oxo-8-thia-1-azatricyclo[7.4.0.0,2,7]trideca-2,4,6,9,11-pentaene-10-carbonitrile, 3-(chloromethyl)-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile, 3-(chloromethyl)-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile
| Molecular Formula | C13H7ClN2OS |
|---|---|
| Molecular Weight | 274.00 g/mol |
| LogP | 3.12468 |
| Topological Polar Surface Area | 45.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.99677 |
| Heavy Atoms | 18 |
| Complexity | 856.9108 |
Chemical Identifiers
| CAS Number | 733762-45-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=O)C=C(C(=C3S2)C#N)CCl |
Product Overview
3-(chloromethyl)-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile (CAS 733762-45-3), with molecular formula C13H7ClN2OS and molecular weight 274.00 g/mol. IUPAC: 3-(chloromethyl)-1-oxopyrido[2,1-b][1,3]benzothiazole-4-carbonitrile.
Chemical Property Profile of 3-(chloromethyl)-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile
Property Insights of 3-(chloromethyl)-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile
The XLogP value of 3.12468 indicates that 3-(chloromethyl)-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.27 Ų, 3-(chloromethyl)-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(chloromethyl)-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile has 0 hydrogen bond donor(s) and 3 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-(chloromethyl)-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile?
The CAS number of 3-(chloromethyl)-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile is 733762-45-3.
What is the molecular formula of 3-(chloromethyl)-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile?
The molecular formula of 3-(chloromethyl)-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile is C13H7ClN2OS.
What is the molecular weight of 3-(chloromethyl)-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile?
The molecular weight of 3-(chloromethyl)-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile is 274.00 g/mol.
Where can I buy 3-(chloromethyl)-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile?
You can request a quote for 3-(chloromethyl)-1-oxo-1H-pyrido[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-(chloromethyl)-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(chloromethyl)-1-oxo-1H-pyrido[2,1-b][1,3]benzothiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.