3,5-二乙基-4-羟基苯甲腈
TL;DR: 3,5-二乙基-4-羟基苯甲腈 (CAS 4910-03-6) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二乙基-4-羟基苯甲腈
3,5-diethyl-4-hydroxybenzonitrile
Also Known As: 3,5-Diethyl-4-hydroxybenzonitrile, 4-Hydroxy-3,5-diethylbenzonitrile, BENZONITRILE, 3,5-DIETHYL-4-HYDROXY-, BRN 2578291, RefChem:328016
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 4910-03-6 |
|---|---|
| SMILES | CCC1=CC(=CC(=C1O)CC)C#N |
| InChIKey | LVXBYXUNTBNBSA-UHFFFAOYSA-N |
Product Overview
3,5-二乙基-4-羟基苯甲腈 (CAS 4910-03-6), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 3,5-diethyl-4-hydroxybenzonitrile.
Chemical Property Profile of 3,5-二乙基-4-羟基苯甲腈
Property Insights of 3,5-二乙基-4-羟基苯甲腈
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-二乙基-4-羟基苯甲腈. With a topological polar surface area (TPSA) of 44.0 Ų, 3,5-二乙基-4-羟基苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-二乙基-4-羟基苯甲腈 has 1 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 3,5-二乙基-4-羟基苯甲腈?
The CAS number of 3,5-二乙基-4-羟基苯甲腈 is 4910-03-6.
What is the molecular formula of 3,5-二乙基-4-羟基苯甲腈?
The molecular formula of 3,5-二乙基-4-羟基苯甲腈 is C11H13NO.
What is the molecular weight of 3,5-二乙基-4-羟基苯甲腈?
The molecular weight of 3,5-二乙基-4-羟基苯甲腈 is 175.10 g/mol.
Where can I buy 3,5-二乙基-4-羟基苯甲腈?
You can request a quote for 3,5-二乙基-4-羟基苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二乙基-4-羟基苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二乙基-4-羟基苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.