N-allyl-3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxamide
TL;DR: N-allyl-3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxamide (CAS 477858-01-8) is a chemical compound with molecular formula C15H14ClNOS2 and molecular weight 323.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
Also Known As: N-allyl-3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxamide, 3-(4-chlorophenyl)-5-(methylsulfanyl)-N-(prop-2-en-1-yl)thiophene-2-carboxamide, 3-(4-chlorophenyl)-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
| Molecular Formula | C15H14ClNOS2 |
|---|---|
| Molecular Weight | 323.02 g/mol |
| LogP | 4.7062 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.02054 |
| Heavy Atoms | 20 |
| Complexity | 619.3038 |
Chemical Identifiers
| CAS Number | 477858-01-8 |
|---|---|
| SMILES | CSC1=CC(=C(S1)C(=O)NCC=C)C2=CC=C(C=C2)Cl |
Product Overview
N-allyl-3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxamide (CAS 477858-01-8), with molecular formula C15H14ClNOS2 and molecular weight 323.02 g/mol. IUPAC: 3-(4-chlorophenyl)-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide.
Chemical Property Profile of N-allyl-3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxamide
Property Insights of N-allyl-3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxamide
The XLogP value of 4.7062 indicates that N-allyl-3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxamide 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-allyl-3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxamide 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 N-allyl-3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxamide?
The CAS number of N-allyl-3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxamide is 477858-01-8.
What is the molecular formula of N-allyl-3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxamide?
The molecular formula of N-allyl-3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxamide is C15H14ClNOS2.
What is the molecular weight of N-allyl-3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxamide?
The molecular weight of N-allyl-3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxamide is 323.02 g/mol.
Where can I buy N-allyl-3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxamide?
You can request a quote for N-allyl-3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-3-(4-chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.