N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(pyrrolidin-1-yl)propanamide
TL;DR: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(pyrrolidin-1-yl)propanamide (CAS 58125-35-2) is a chemical compound with molecular formula C16H21N3OS and molecular weight 303.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyrrolidin-1-ylpropanamide
Also Known As: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(pyrrolidin-1-yl)propanamide, F1142-0225, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyrrolidin-1-ylpropanamide, N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-(pyrrolidin-1-yl)propanamide, N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-pyrrolidin-1-yl-propanamide
| Molecular Formula | C16H21N3OS |
|---|---|
| Molecular Weight | 303.14 g/mol |
| LogP | 2.92298 |
| Topological Polar Surface Area | 56.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.14053 |
| Heavy Atoms | 21 |
| Complexity | 566.8126 |
Chemical Identifiers
| CAS Number | 58125-35-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3CCCC3)C#N |
Product Overview
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(pyrrolidin-1-yl)propanamide (CAS 58125-35-2), with molecular formula C16H21N3OS and molecular weight 303.14 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyrrolidin-1-ylpropanamide.
Chemical Property Profile of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(pyrrolidin-1-yl)propanamide
Property Insights of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(pyrrolidin-1-yl)propanamide
The XLogP value of 2.92298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(pyrrolidin-1-yl)propanamide. With a topological polar surface area (TPSA) of 56.13 Ų, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(pyrrolidin-1-yl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(pyrrolidin-1-yl)propanamide has 1 hydrogen bond donor(s) and 4 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-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(pyrrolidin-1-yl)propanamide?
The CAS number of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(pyrrolidin-1-yl)propanamide is 58125-35-2.
What is the molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(pyrrolidin-1-yl)propanamide?
The molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(pyrrolidin-1-yl)propanamide is C16H21N3OS.
What is the molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(pyrrolidin-1-yl)propanamide?
The molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(pyrrolidin-1-yl)propanamide is 303.14 g/mol.
Where can I buy N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(pyrrolidin-1-yl)propanamide?
You can request a quote for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(pyrrolidin-1-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(pyrrolidin-1-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(pyrrolidin-1-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.