N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide
TL;DR: N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide (CAS 389065-59-2) is a chemical compound with molecular formula C11H11ClN2OS and molecular weight 254.03 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)-2-methylpropanamide
Also Known As: IFLab1_000268, N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide, IDI1_008487, BAS 06174405, N-(6-Chloro-benzothiazol-2-yl)-isobutyramide
| Molecular Formula | C11H11ClN2OS |
|---|---|
| Molecular Weight | 254.03 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.02806 |
| Heavy Atoms | 16 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 389065-59-2 |
|---|---|
| SMILES | CC(C)C(=O)NC1=NC2=C(S1)C=C(C=C2)Cl |
| InChIKey | ILSASIBJTOMQEA-UHFFFAOYSA-N |
Product Overview
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide (CAS 389065-59-2), with molecular formula C11H11ClN2OS and molecular weight 254.03 g/mol. IUPAC: N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide.
Chemical Property Profile of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide
Property Insights of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide
The XLogP value of 3.8 indicates that N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide. Following Lipinski's Rule of Five, N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide has 1 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 N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide?
The CAS number of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide is 389065-59-2.
What is the molecular formula of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide?
The molecular formula of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide is C11H11ClN2OS.
What is the molecular weight of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide?
The molecular weight of N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide is 254.03 g/mol.
Where can I buy N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide?
You can request a quote for N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide 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)-2-methylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.