3-苯基丙烯腈
TL;DR: 3-苯基丙烯腈 (CAS 4360-47-8) is a chemical compound with molecular formula C9H7N and molecular weight 129.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-苯基丙烯腈
3-phenylprop-2-enenitrile
Also Known As: Cinnamonitrile, trans-Cinnamonitrile, 3-Phenylacrylonitrile, 3-phenylprop-2-enenitrile, cyanostyrene
| Molecular Formula | C9H7N |
|---|---|
| Molecular Weight | 129.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 129.05785 |
| Heavy Atoms | 10 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 4360-47-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC#N |
| InChIKey | ZWKNLRXFUTWSOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-苯基丙烯腈 (CAS 4360-47-8), with molecular formula C9H7N and molecular weight 129.06 g/mol. IUPAC: 3-phenylprop-2-enenitrile.
Chemical Property Profile of 3-苯基丙烯腈
Property Insights of 3-苯基丙烯腈
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-苯基丙烯腈. With a topological polar surface area (TPSA) of 23.8 Ų, 3-苯基丙烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-苯基丙烯腈 has 0 hydrogen bond donor(s) and 1 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 3-苯基丙烯腈?
The CAS number of 3-苯基丙烯腈 is 4360-47-8.
What is the molecular formula of 3-苯基丙烯腈?
The molecular formula of 3-苯基丙烯腈 is C9H7N.
What is the molecular weight of 3-苯基丙烯腈?
The molecular weight of 3-苯基丙烯腈 is 129.06 g/mol.
Where can I buy 3-苯基丙烯腈?
You can request a quote for 3-苯基丙烯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苯基丙烯腈?
Yes, KEHONG BIO provides custom synthesis services for 3-苯基丙烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.