5-Chloro-N-(2-hydroxypropyl)-2-oxo-3(2H)-benzothiazoleacetamide
TL;DR: 5-Chloro-N-(2-hydroxypropyl)-2-oxo-3(2H)-benzothiazoleacetamide (CAS 38185-54-5) is a chemical compound with molecular formula C12H12ClN2O3S+ and molecular weight 299.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-chloro-2-oxo-3-(2-oxopropyl)-1,3-benzothiazol-3-ium-3-yl]acetamide
Also Known As: 5-Chloro-N-(2-hydroxypropyl)-2-oxo-3(2H)-benzothiazoleacetamide, 3-Benzothiazolineacetamide, 5-chloro-N-(2-hydroxypropyl)-2-oxo-, 3(2H)-Benzothiazoleacetamide, 5-chloro-N-(2-hydroxypropyl)-2-oxo-, 3-(2-amino-2-oxoethyl)-5-chloro-2-oxo-3-(2-oxopropyl)-2,3-dihydro-1,3-benzothiazol-3-ium, 2-(5-chloro-2-oxo-benzothiazol-3-yl)-N-(2-hydroxy-propyl)-acetamide
| Molecular Formula | C12H12ClN2O3S+ |
|---|---|
| Molecular Weight | 299.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.02573 |
| Heavy Atoms | 19 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 38185-54-5 |
|---|---|
| SMILES | CC(=O)C[N+]1(C2=C(C=CC(=C2)Cl)SC1=O)CC(=O)N |
| InChIKey | FHHKPDQQBBEQGR-UHFFFAOYSA-O |
Product Overview
5-Chloro-N-(2-hydroxypropyl)-2-oxo-3(2H)-benzothiazoleacetamide (CAS 38185-54-5), with molecular formula C12H12ClN2O3S+ and molecular weight 299.03 g/mol. IUPAC: 2-[5-chloro-2-oxo-3-(2-oxopropyl)-1,3-benzothiazol-3-ium-3-yl]acetamide.
Chemical Property Profile of 5-Chloro-N-(2-hydroxypropyl)-2-oxo-3(2H)-benzothiazoleacetamide
Property Insights of 5-Chloro-N-(2-hydroxypropyl)-2-oxo-3(2H)-benzothiazoleacetamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-N-(2-hydroxypropyl)-2-oxo-3(2H)-benzothiazoleacetamide. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-N-(2-hydroxypropyl)-2-oxo-3(2H)-benzothiazoleacetamide. Following Lipinski's Rule of Five, 5-Chloro-N-(2-hydroxypropyl)-2-oxo-3(2H)-benzothiazoleacetamide has 1 hydrogen bond donor(s) and 4 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 5-Chloro-N-(2-hydroxypropyl)-2-oxo-3(2H)-benzothiazoleacetamide?
The CAS number of 5-Chloro-N-(2-hydroxypropyl)-2-oxo-3(2H)-benzothiazoleacetamide is 38185-54-5.
What is the molecular formula of 5-Chloro-N-(2-hydroxypropyl)-2-oxo-3(2H)-benzothiazoleacetamide?
The molecular formula of 5-Chloro-N-(2-hydroxypropyl)-2-oxo-3(2H)-benzothiazoleacetamide is C12H12ClN2O3S+.
What is the molecular weight of 5-Chloro-N-(2-hydroxypropyl)-2-oxo-3(2H)-benzothiazoleacetamide?
The molecular weight of 5-Chloro-N-(2-hydroxypropyl)-2-oxo-3(2H)-benzothiazoleacetamide is 299.03 g/mol.
Where can I buy 5-Chloro-N-(2-hydroxypropyl)-2-oxo-3(2H)-benzothiazoleacetamide?
You can request a quote for 5-Chloro-N-(2-hydroxypropyl)-2-oxo-3(2H)-benzothiazoleacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-N-(2-hydroxypropyl)-2-oxo-3(2H)-benzothiazoleacetamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-N-(2-hydroxypropyl)-2-oxo-3(2H)-benzothiazoleacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.