2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
TL;DR: 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide (CAS 312756-45-9) is a chemical compound with molecular formula C16H13BrN2OS and molecular weight 359.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Also Known As: 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide, BAS 00396561, F0016-0395, 2-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzamide, 2-Bromo-N-(3-cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-benzamide
| Molecular Formula | C16H13BrN2OS |
|---|---|
| Molecular Weight | 359.99 g/mol |
| LogP | 4.51338 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.9932 |
| Heavy Atoms | 21 |
| Complexity | 745.22064 |
Chemical Identifiers
| CAS Number | 312756-45-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3Br)C#N |
Product Overview
2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide (CAS 312756-45-9), with molecular formula C16H13BrN2OS and molecular weight 359.99 g/mol. IUPAC: 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide.
Chemical Property Profile of 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Property Insights of 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
The XLogP value of 4.51338 indicates that 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide 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 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
The CAS number of 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide is 312756-45-9.
What is the molecular formula of 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
The molecular formula of 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide is C16H13BrN2OS.
What is the molecular weight of 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
The molecular weight of 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide is 359.99 g/mol.
Where can I buy 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
You can request a quote for 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.