α-(1-氧丙基)苯乙腈
TL;DR: α-(1-氧丙基)苯乙腈 (CAS 6277-02-7) is a chemical compound with molecular formula C11H11NO and molecular weight 173.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-(1-氧丙基)苯乙腈
3-oxo-2-phenylpentanenitrile
Also Known As: 3-oxo-2-phenylpentanenitrile, 2-Phenyl-3-oxopentanenitrile, 3-Oxo-2-valeronitrile, 1-Cyano-1-phenyl-2-butanone, Valeronitrile, 3-oxo-2-phenyl-
| Molecular Formula | C11H11NO |
|---|---|
| Molecular Weight | 173.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.08406 |
| Heavy Atoms | 13 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 6277-02-7 |
|---|---|
| SMILES | CCC(=O)C(C#N)C1=CC=CC=C1 |
| InChIKey | CDTCQMCSOFAGDD-UHFFFAOYSA-N |
Product Overview
α-(1-氧丙基)苯乙腈 (CAS 6277-02-7), with molecular formula C11H11NO and molecular weight 173.08 g/mol. IUPAC: 3-oxo-2-phenylpentanenitrile.
Chemical Property Profile of α-(1-氧丙基)苯乙腈
Property Insights of α-(1-氧丙基)苯乙腈
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-(1-氧丙基)苯乙腈. With a topological polar surface area (TPSA) of 40.9 Ų, α-(1-氧丙基)苯乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-(1-氧丙基)苯乙腈 has 0 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 α-(1-氧丙基)苯乙腈?
The CAS number of α-(1-氧丙基)苯乙腈 is 6277-02-7.
What is the molecular formula of α-(1-氧丙基)苯乙腈?
The molecular formula of α-(1-氧丙基)苯乙腈 is C11H11NO.
What is the molecular weight of α-(1-氧丙基)苯乙腈?
The molecular weight of α-(1-氧丙基)苯乙腈 is 173.08 g/mol.
Where can I buy α-(1-氧丙基)苯乙腈?
You can request a quote for α-(1-氧丙基)苯乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-(1-氧丙基)苯乙腈?
Yes, KEHONG BIO provides custom synthesis services for α-(1-氧丙基)苯乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.