N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
TL;DR: N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 874466-75-8) is a chemical compound with molecular formula C12H15NOS and molecular weight 221.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-prop-2-enyl-4,5,6,7-tetrahydrobenzo[b]thiophen-3-ylcarboxamide, N-(prop-2-en-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C12H15NOS |
|---|---|
| Molecular Weight | 221.09 g/mol |
| LogP | 2.5427 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.08743 |
| Heavy Atoms | 15 |
| Complexity | 380.97388 |
Chemical Identifiers
| CAS Number | 874466-75-8 |
|---|---|
| SMILES | C=CCNC(=O)C1=CSC2=C1CCCC2 |
Product Overview
N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 874466-75-8), with molecular formula C12H15NOS and molecular weight 221.09 g/mol. IUPAC: N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Property Insights of N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
The XLogP value of 2.5427 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-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 N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The CAS number of N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 874466-75-8.
What is the molecular formula of N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular formula of N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C12H15NOS.
What is the molecular weight of N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The molecular weight of N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is 221.09 g/mol.
Where can I buy N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
You can request a quote for N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.