N-benzyl-5-bromo-1-benzothiophene-2-carboxamide
TL;DR: N-benzyl-5-bromo-1-benzothiophene-2-carboxamide (CAS 439108-01-7) is a chemical compound with molecular formula C16H12BrNOS and molecular weight 344.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-5-bromo-1-benzothiophene-2-carboxamide
Also Known As: N-benzyl-5-bromo-1-benzothiophene-2-carboxamide, 3T-1255
| Molecular Formula | C16H12BrNOS |
|---|---|
| Molecular Weight | 344.98 g/mol |
| LogP | 4.5938 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.9823 |
| Heavy Atoms | 20 |
| Complexity | 751.5177 |
Chemical Identifiers
| CAS Number | 439108-01-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=CC3=C(S2)C=CC(=C3)Br |
Product Overview
N-benzyl-5-bromo-1-benzothiophene-2-carboxamide (CAS 439108-01-7), with molecular formula C16H12BrNOS and molecular weight 344.98 g/mol. IUPAC: N-benzyl-5-bromo-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-benzyl-5-bromo-1-benzothiophene-2-carboxamide
Property Insights of N-benzyl-5-bromo-1-benzothiophene-2-carboxamide
The XLogP value of 4.5938 indicates that N-benzyl-5-bromo-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-benzyl-5-bromo-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-5-bromo-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 2 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-benzyl-5-bromo-1-benzothiophene-2-carboxamide?
The CAS number of N-benzyl-5-bromo-1-benzothiophene-2-carboxamide is 439108-01-7.
What is the molecular formula of N-benzyl-5-bromo-1-benzothiophene-2-carboxamide?
The molecular formula of N-benzyl-5-bromo-1-benzothiophene-2-carboxamide is C16H12BrNOS.
What is the molecular weight of N-benzyl-5-bromo-1-benzothiophene-2-carboxamide?
The molecular weight of N-benzyl-5-bromo-1-benzothiophene-2-carboxamide is 344.98 g/mol.
Where can I buy N-benzyl-5-bromo-1-benzothiophene-2-carboxamide?
You can request a quote for N-benzyl-5-bromo-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-5-bromo-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-5-bromo-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.