4-(1-氧代戊基)苄腈
TL;DR: 4-(1-氧代戊基)苄腈 (CAS 30611-20-2) is a chemical compound with molecular formula C12H13NO and molecular weight 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-氧代戊基)苄腈
4-pentanoylbenzonitrile
Also Known As: 4-pentanoylbenzonitrile, Benzonitrile, 4-(1-oxopentyl)-, 4-Valerylbenzonitrile, Benzonitrile,4-(1-oxopentyl)-, 2,4,6-Trimethoxyaniline
| Molecular Formula | C12H13NO |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 187.09972 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 30611-20-2 |
|---|---|
| SMILES | CCCCC(=O)C1=CC=C(C=C1)C#N |
| InChIKey | SNDVNNGWNNDYHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(1-氧代戊基)苄腈 (CAS 30611-20-2), with molecular formula C12H13NO and molecular weight 187.10 g/mol. IUPAC: 4-pentanoylbenzonitrile.
Chemical Property Profile of 4-(1-氧代戊基)苄腈
Property Insights of 4-(1-氧代戊基)苄腈
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-氧代戊基)苄腈. With a topological polar surface area (TPSA) of 40.9 Ų, 4-(1-氧代戊基)苄腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-氧代戊基)苄腈 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 4-(1-氧代戊基)苄腈?
The CAS number of 4-(1-氧代戊基)苄腈 is 30611-20-2.
What is the molecular formula of 4-(1-氧代戊基)苄腈?
The molecular formula of 4-(1-氧代戊基)苄腈 is C12H13NO.
What is the molecular weight of 4-(1-氧代戊基)苄腈?
The molecular weight of 4-(1-氧代戊基)苄腈 is 187.10 g/mol.
Where can I buy 4-(1-氧代戊基)苄腈?
You can request a quote for 4-(1-氧代戊基)苄腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-氧代戊基)苄腈?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-氧代戊基)苄腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.