2-(4-(噻吩-2-基羰基)苯基)丙腈
TL;DR: 2-(4-(噻吩-2-基羰基)苯基)丙腈 (CAS 52779-85-8) is a chemical compound with molecular formula C14H11NOS and molecular weight 241.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-(噻吩-2-基羰基)苯基)丙腈
2-[4-(thiophene-2-carbonyl)phenyl]propanenitrile
Also Known As: 2-[4- phenyl]propiononitrile, p-(2-thenoyl)hydratroponitrile, 2-[4-(thiophene-2-carbonyl)phenyl]propanenitrile, 2-[4-(2-thienylcarbonyl)phenyl]propanenitrile, 2-[4-(thien-2-ylcarbonyl)phenyl]propiononitrile
| Molecular Formula | C14H11NOS |
|---|---|
| Molecular Weight | 241.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.05614 |
| Heavy Atoms | 17 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 52779-85-8 |
|---|---|
| SMILES | CC(C#N)C1=CC=C(C=C1)C(=O)C2=CC=CS2 |
| InChIKey | OFGUULGKDTVNML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-(噻吩-2-基羰基)苯基)丙腈 (CAS 52779-85-8), with molecular formula C14H11NOS and molecular weight 241.06 g/mol. IUPAC: 2-[4-(thiophene-2-carbonyl)phenyl]propanenitrile.
Chemical Property Profile of 2-(4-(噻吩-2-基羰基)苯基)丙腈
Property Insights of 2-(4-(噻吩-2-基羰基)苯基)丙腈
The XLogP value of 3.5 indicates that 2-(4-(噻吩-2-基羰基)苯基)丙腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(噻吩-2-基羰基)苯基)丙腈. Following Lipinski's Rule of Five, 2-(4-(噻吩-2-基羰基)苯基)丙腈 has 0 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 2-(4-(噻吩-2-基羰基)苯基)丙腈?
The CAS number of 2-(4-(噻吩-2-基羰基)苯基)丙腈 is 52779-85-8.
What is the molecular formula of 2-(4-(噻吩-2-基羰基)苯基)丙腈?
The molecular formula of 2-(4-(噻吩-2-基羰基)苯基)丙腈 is C14H11NOS.
What is the molecular weight of 2-(4-(噻吩-2-基羰基)苯基)丙腈?
The molecular weight of 2-(4-(噻吩-2-基羰基)苯基)丙腈 is 241.06 g/mol.
Where can I buy 2-(4-(噻吩-2-基羰基)苯基)丙腈?
You can request a quote for 2-(4-(噻吩-2-基羰基)苯基)丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(噻吩-2-基羰基)苯基)丙腈?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(噻吩-2-基羰基)苯基)丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.