2,6-二氯-4-羟基苯甲腈
TL;DR: 2,6-二氯-4-羟基苯甲腈 (CAS 3336-19-4) is a chemical compound with molecular formula C7H3Cl2NO and molecular weight 186.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-二氯-4-羟基苯甲腈
2,6-dichloro-4-hydroxybenzonitrile
Also Known As: 4-Hydroxydichlobenil, 2,6-Dichloro-4-hydroxybenzonitrile, BENZONITRILE, 2,6-DICHLORO-4-HYDROXY-, 4-hydroxy-2,6-dichlorobenzonitrile, 3-10-00-00362 (Beilstein Handbook Reference)
| Molecular Formula | C7H3Cl2NO |
|---|---|
| Molecular Weight | 186.96 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.95917 |
| Heavy Atoms | 11 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 3336-19-4 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)C#N)Cl)O |
| InChIKey | KEVQPVCRSMUYCT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-二氯-4-羟基苯甲腈 (CAS 3336-19-4), with molecular formula C7H3Cl2NO and molecular weight 186.96 g/mol. IUPAC: 2,6-dichloro-4-hydroxybenzonitrile.
Chemical Property Profile of 2,6-二氯-4-羟基苯甲腈
Property Insights of 2,6-二氯-4-羟基苯甲腈
The XLogP value of 3.1 indicates that 2,6-二氯-4-羟基苯甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.0 Ų, 2,6-二氯-4-羟基苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-二氯-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 2,6-二氯-4-羟基苯甲腈?
The CAS number of 2,6-二氯-4-羟基苯甲腈 is 3336-19-4.
What is the molecular formula of 2,6-二氯-4-羟基苯甲腈?
The molecular formula of 2,6-二氯-4-羟基苯甲腈 is C7H3Cl2NO.
What is the molecular weight of 2,6-二氯-4-羟基苯甲腈?
The molecular weight of 2,6-二氯-4-羟基苯甲腈 is 186.96 g/mol.
Where can I buy 2,6-二氯-4-羟基苯甲腈?
You can request a quote for 2,6-二氯-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 2,6-二氯-4-羟基苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 2,6-二氯-4-羟基苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.