4-羟基-3-吡啶-2-基苯甲腈
TL;DR: 4-羟基-3-吡啶-2-基苯甲腈 (CAS 33400-81-6) is a chemical compound with molecular formula C12H8N2O and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-羟基-3-吡啶-2-基苯甲腈
4-hydroxy-3-pyridin-2-ylbenzonitrile
Also Known As: 2-(5-Cyano-2-hydroxyphenyl)pyridine, 4-Hydroxy-3-pyridin-2-ylbenzonitrile, (3Z)-4-oxo-3-(1H-pyridin-2-ylidene)cyclohexa-1,5-diene-1-car, 4-oxo-3-(1H-pyridin-2-ylidene)cyclohexa-1,5-diene-1-carbonitrile, (3Z)-4-oxo-3-(1H-pyridin-2-ylidene)cyclohexa-1,5-diene-1-carbonitrile
| Molecular Formula | C12H8N2O |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 56.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.06366 |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 33400-81-6 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2=C(C=CC(=C2)C#N)O |
| InChIKey | GHHZZEFFMURKRJ-UHFFFAOYSA-N |
Product Overview
4-羟基-3-吡啶-2-基苯甲腈 (CAS 33400-81-6), with molecular formula C12H8N2O and molecular weight 196.06 g/mol. IUPAC: 4-hydroxy-3-pyridin-2-ylbenzonitrile.
Chemical Property Profile of 4-羟基-3-吡啶-2-基苯甲腈
Property Insights of 4-羟基-3-吡啶-2-基苯甲腈
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-羟基-3-吡啶-2-基苯甲腈. With a topological polar surface area (TPSA) of 56.9 Ų, 4-羟基-3-吡啶-2-基苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-羟基-3-吡啶-2-基苯甲腈 has 1 hydrogen bond donor(s) and 3 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-羟基-3-吡啶-2-基苯甲腈?
The CAS number of 4-羟基-3-吡啶-2-基苯甲腈 is 33400-81-6.
What is the molecular formula of 4-羟基-3-吡啶-2-基苯甲腈?
The molecular formula of 4-羟基-3-吡啶-2-基苯甲腈 is C12H8N2O.
What is the molecular weight of 4-羟基-3-吡啶-2-基苯甲腈?
The molecular weight of 4-羟基-3-吡啶-2-基苯甲腈 is 196.06 g/mol.
Where can I buy 4-羟基-3-吡啶-2-基苯甲腈?
You can request a quote for 4-羟基-3-吡啶-2-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 4-羟基-3-吡啶-2-基苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-羟基-3-吡啶-2-基苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.