3-chloro-N-propyl-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-propyl-1-benzothiophene-2-carboxamide (CAS 413613-07-7) is a chemical compound with molecular formula C12H12ClNOS and molecular weight 253.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-propyl-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N-propyl-1-benzothiophene-2-carboxamide, 3-Chloro-N-propylbenzo[b]thiophene-2-carboxamide, BIM-0030880.P001, (3-chlorobenzo[b]thiophen-2-yl)-N-propylcarboxamide, 3-chloro-N-propyl-1-benzo[b]thiophene-2-carboxamide
| Molecular Formula | C12H12ClNOS |
|---|---|
| Molecular Weight | 253.03 g/mol |
| LogP | 3.6945 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.0328 |
| Heavy Atoms | 16 |
| Complexity | 520.71313 |
Chemical Identifiers
| CAS Number | 413613-07-7 |
|---|---|
| SMILES | CCCNC(=O)C1=C(C2=CC=CC=C2S1)Cl |
Product Overview
3-chloro-N-propyl-1-benzothiophene-2-carboxamide (CAS 413613-07-7), with molecular formula C12H12ClNOS and molecular weight 253.03 g/mol. IUPAC: 3-chloro-N-propyl-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-propyl-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-propyl-1-benzothiophene-2-carboxamide
The XLogP value of 3.6945 indicates that 3-chloro-N-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 29.1 Ų, 3-chloro-N-propyl-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-propyl-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 3-chloro-N-propyl-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-propyl-1-benzothiophene-2-carboxamide is 413613-07-7.
What is the molecular formula of 3-chloro-N-propyl-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-propyl-1-benzothiophene-2-carboxamide is C12H12ClNOS.
What is the molecular weight of 3-chloro-N-propyl-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-propyl-1-benzothiophene-2-carboxamide is 253.03 g/mol.
Where can I buy 3-chloro-N-propyl-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-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-propyl-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-propyl-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.