N-(1,3-benzothiazol-2-yl)-4-bromo-1-methylpyrazole-3-carboxamide
TL;DR: N-(1,3-benzothiazol-2-yl)-4-bromo-1-methylpyrazole-3-carboxamide (CAS 404904-27-4) is a chemical compound with molecular formula C12H9BrN4OS and molecular weight 335.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-4-bromo-1-methylpyrazole-3-carboxamide
Also Known As: N-(1,3-benzothiazol-2-yl)-4-bromo-1-methylpyrazole-3-carboxamide, 1h-pyrazole-3-carboxamide,n-2-benzo[d]thiazolyl-4-bromo-1-methyl-, N-(1,3-benzothiazol-2-yl)-4-bromo-1-methyl-1H-pyrazole-3-carboxamide
| Molecular Formula | C12H9BrN4OS |
|---|---|
| Molecular Weight | 335.97 g/mol |
| LogP | 3.0446 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.96805 |
| Heavy Atoms | 19 |
| Complexity | 731.02356 |
Chemical Identifiers
| CAS Number | 404904-27-4 |
|---|---|
| SMILES | CN1C=C(C(=N1)C(=O)NC2=NC3=CC=CC=C3S2)Br |
Product Overview
N-(1,3-benzothiazol-2-yl)-4-bromo-1-methylpyrazole-3-carboxamide (CAS 404904-27-4), with molecular formula C12H9BrN4OS and molecular weight 335.97 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-4-bromo-1-methylpyrazole-3-carboxamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-4-bromo-1-methylpyrazole-3-carboxamide
Property Insights of N-(1,3-benzothiazol-2-yl)-4-bromo-1-methylpyrazole-3-carboxamide
The XLogP value of 3.0446 indicates that N-(1,3-benzothiazol-2-yl)-4-bromo-1-methylpyrazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, N-(1,3-benzothiazol-2-yl)-4-bromo-1-methylpyrazole-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-4-bromo-1-methylpyrazole-3-carboxamide 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 N-(1,3-benzothiazol-2-yl)-4-bromo-1-methylpyrazole-3-carboxamide?
The CAS number of N-(1,3-benzothiazol-2-yl)-4-bromo-1-methylpyrazole-3-carboxamide is 404904-27-4.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-4-bromo-1-methylpyrazole-3-carboxamide?
The molecular formula of N-(1,3-benzothiazol-2-yl)-4-bromo-1-methylpyrazole-3-carboxamide is C12H9BrN4OS.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-4-bromo-1-methylpyrazole-3-carboxamide?
The molecular weight of N-(1,3-benzothiazol-2-yl)-4-bromo-1-methylpyrazole-3-carboxamide is 335.97 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-4-bromo-1-methylpyrazole-3-carboxamide?
You can request a quote for N-(1,3-benzothiazol-2-yl)-4-bromo-1-methylpyrazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzothiazol-2-yl)-4-bromo-1-methylpyrazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-4-bromo-1-methylpyrazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.