3,5-二甲基-4-羟基苯甲腈
TL;DR: 3,5-二甲基-4-羟基苯甲腈 (CAS 4198-90-7) is a chemical compound with molecular formula C9H9NO and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二甲基-4-羟基苯甲腈
4-hydroxy-3,5-dimethylbenzonitrile
Also Known As: 4-Hydroxy-3,5-dimethylbenzonitrile, 3,5-Dimethyl-4-hydroxybenzonitrile, 2,6-Dimethyl-4-cyanophenol, 4-Cyano-2,6-dimethylphenol, 4-Hydroxy-3,5-DiMethyl-Benzonitrile
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 147.06842 |
| Heavy Atoms | 11 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 4198-90-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1O)C)C#N |
| InChIKey | WFYGXOWFEIOHCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-二甲基-4-羟基苯甲腈 (CAS 4198-90-7), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: 4-hydroxy-3,5-dimethylbenzonitrile.
Chemical Property Profile of 3,5-二甲基-4-羟基苯甲腈
Property Insights of 3,5-二甲基-4-羟基苯甲腈
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-二甲基-4-羟基苯甲腈. With a topological polar surface area (TPSA) of 44.0 Ų, 3,5-二甲基-4-羟基苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-二甲基-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 3,5-二甲基-4-羟基苯甲腈?
The CAS number of 3,5-二甲基-4-羟基苯甲腈 is 4198-90-7.
What is the molecular formula of 3,5-二甲基-4-羟基苯甲腈?
The molecular formula of 3,5-二甲基-4-羟基苯甲腈 is C9H9NO.
What is the molecular weight of 3,5-二甲基-4-羟基苯甲腈?
The molecular weight of 3,5-二甲基-4-羟基苯甲腈 is 147.07 g/mol.
Where can I buy 3,5-二甲基-4-羟基苯甲腈?
You can request a quote for 3,5-二甲基-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 3,5-二甲基-4-羟基苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二甲基-4-羟基苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.