N,N-diallyl-3-chloro-1-benzothiophene-2-carboxamide
TL;DR: N,N-diallyl-3-chloro-1-benzothiophene-2-carboxamide (CAS 545343-62-2) is a chemical compound with molecular formula C15H14ClNOS and molecular weight 291.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide
Also Known As: N,N-diallyl-3-chloro-1-benzothiophene-2-carboxamide, AN-329/40943882, 3-chloro-N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide, 3-chloro-N,N-di(prop-2-en-1-yl)-1-benzothiophene-2-carboxamide
| Molecular Formula | C15H14ClNOS |
|---|---|
| Molecular Weight | 291.05 g/mol |
| LogP | 4.3689 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.04846 |
| Heavy Atoms | 19 |
| Complexity | 622.1073 |
Chemical Identifiers
| CAS Number | 545343-62-2 |
|---|---|
| SMILES | C=CCN(CC=C)C(=O)C1=C(C2=CC=CC=C2S1)Cl |
Product Overview
N,N-diallyl-3-chloro-1-benzothiophene-2-carboxamide (CAS 545343-62-2), with molecular formula C15H14ClNOS and molecular weight 291.05 g/mol. IUPAC: 3-chloro-N,N-bis(prop-2-enyl)-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N,N-diallyl-3-chloro-1-benzothiophene-2-carboxamide
Property Insights of N,N-diallyl-3-chloro-1-benzothiophene-2-carboxamide
The XLogP value of 4.3689 indicates that N,N-diallyl-3-chloro-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 20.31 Ų, N,N-diallyl-3-chloro-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-diallyl-3-chloro-1-benzothiophene-2-carboxamide has 0 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,N-diallyl-3-chloro-1-benzothiophene-2-carboxamide?
The CAS number of N,N-diallyl-3-chloro-1-benzothiophene-2-carboxamide is 545343-62-2.
What is the molecular formula of N,N-diallyl-3-chloro-1-benzothiophene-2-carboxamide?
The molecular formula of N,N-diallyl-3-chloro-1-benzothiophene-2-carboxamide is C15H14ClNOS.
What is the molecular weight of N,N-diallyl-3-chloro-1-benzothiophene-2-carboxamide?
The molecular weight of N,N-diallyl-3-chloro-1-benzothiophene-2-carboxamide is 291.05 g/mol.
Where can I buy N,N-diallyl-3-chloro-1-benzothiophene-2-carboxamide?
You can request a quote for N,N-diallyl-3-chloro-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,N-diallyl-3-chloro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-diallyl-3-chloro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.