N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
TL;DR: N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide (CAS 314023-26-2) is a chemical compound with molecular formula C15H9ClN2O3S and molecular weight 332.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
Also Known As: BAS 00541493, N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide, F2299-0124, 2H-benzo[d]1,3-dioxolen-5-yl-N-(6-chlorobenzothiazol-2-yl)carboxamide, Benzo[1,3]dioxole-5-carboxylic acid (6-chloro-benzothiazol-2-yl)-amide
| Molecular Formula | C15H9ClN2O3S |
|---|---|
| Molecular Weight | 332.00 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 88.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.00223 |
| Heavy Atoms | 22 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 314023-26-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl |
| InChIKey | ITDXDDPJYAONPN-UHFFFAOYSA-N |
Product Overview
N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide (CAS 314023-26-2), with molecular formula C15H9ClN2O3S and molecular weight 332.00 g/mol. IUPAC: N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide.
Chemical Property Profile of N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
Property Insights of N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
The XLogP value of 4.0 indicates that N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide. Following Lipinski's Rule of Five, N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide 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 N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
The CAS number of N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide is 314023-26-2.
What is the molecular formula of N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
The molecular formula of N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide is C15H9ClN2O3S.
What is the molecular weight of N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
The molecular weight of N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide is 332.00 g/mol.
Where can I buy N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
You can request a quote for N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.