N-(6-bromo-1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide
TL;DR: N-(6-bromo-1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide (CAS 424802-47-1) is a chemical compound with molecular formula C17H15BrN2O4S and molecular weight 421.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-bromo-1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide
Also Known As: N-(6-bromo-1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide, BIM-0030443.P001, F0298-0099, N-(6-bromo-1,3-benzothiazol-2-yl)3,4,5-trianisamide, N-(6-bromobenzo[d]thiazol-2-yl)-3,4,5-trimethoxybenzamide
| Molecular Formula | C17H15BrN2O4S |
|---|---|
| Molecular Weight | 421.99 g/mol |
| LogP | 4.3369 |
| Topological Polar Surface Area | 69.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.9936 |
| Heavy Atoms | 25 |
| Complexity | 916.5377 |
Chemical Identifiers
| CAS Number | 424802-47-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NC3=C(S2)C=C(C=C3)Br |
Product Overview
N-(6-bromo-1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide (CAS 424802-47-1), with molecular formula C17H15BrN2O4S and molecular weight 421.99 g/mol. IUPAC: N-(6-bromo-1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide.
Chemical Property Profile of N-(6-bromo-1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide
Property Insights of N-(6-bromo-1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide
The XLogP value of 4.3369 indicates that N-(6-bromo-1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.68 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-bromo-1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide. Following Lipinski's Rule of Five, N-(6-bromo-1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide has 1 hydrogen bond donor(s) and 6 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-bromo-1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide?
The CAS number of N-(6-bromo-1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide is 424802-47-1.
What is the molecular formula of N-(6-bromo-1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide?
The molecular formula of N-(6-bromo-1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide is C17H15BrN2O4S.
What is the molecular weight of N-(6-bromo-1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide?
The molecular weight of N-(6-bromo-1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide is 421.99 g/mol.
Where can I buy N-(6-bromo-1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide?
You can request a quote for N-(6-bromo-1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-bromo-1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-bromo-1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.