![3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide structure](/static/products/950/95059-41-9.png)
3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide (CAS 95059-41-9) is a chemical compound with molecular formula C15H14ClN3OS and molecular weight 319.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(3-imidazol-1-ylpropyl)-1-benzothiophene-2-carboxamide
Also Known As: BAS 05602596, 3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide, N-(3-(1H-Imidazol-1-yl)propyl)-3-chlorobenzo[b]thiophene-2-carboxamide, 3-Chloro-benzo[b]thiophene-2-carboxylic acid (3-imidazol-1-yl-propyl)-amide, 3-chloro-N-(3-imidazol-1-ylpropyl)-1-benzothiophene-2-carboxamide
| Molecular Formula | C15H14ClN3OS |
|---|---|
| Molecular Weight | 319.05 g/mol |
| LogP | 3.5713 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.0546 |
| Heavy Atoms | 21 |
| Complexity | 751.46783 |
Chemical Identifiers
| CAS Number | 95059-41-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)NCCCN3C=CN=C3)Cl |
Product Overview
3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide (CAS 95059-41-9), with molecular formula C15H14ClN3OS and molecular weight 319.05 g/mol. IUPAC: 3-chloro-N-(3-imidazol-1-ylpropyl)-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide
The XLogP value of 3.5713 indicates that 3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-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 46.92 Ų, 3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide 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 3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide is 95059-41-9.
What is the molecular formula of 3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide is C15H14ClN3OS.
What is the molecular weight of 3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide is 319.05 g/mol.
Where can I buy 3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-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 3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[3-(1H-imidazol-1-yl)propyl]-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.