2-吡啶亚甲基丙二腈
TL;DR: 2-吡啶亚甲基丙二腈 (CAS 64499-63-4) is a chemical compound with molecular formula C9H5N3 and molecular weight 155.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-吡啶亚甲基丙二腈
2-(pyridin-2-ylmethylidene)propanedinitrile
Also Known As: 3-Pyridylmethylenmalonitril, 2-(pyridin-2-ylmethylidene)propanedinitrile, 2-Pyridylmethylenemalononitrile, Propanedinitrile, (2-pyridinylmethylene)-, 2-(2-Pyridyl)methylenemalononitrile
| Molecular Formula | C9H5N3 |
|---|---|
| Molecular Weight | 155.05 g/mol |
| LogP | 1.51216 |
| Topological Polar Surface Area | 60.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.04834 |
| Heavy Atoms | 12 |
| Complexity | 349.0004 |
Chemical Identifiers
| CAS Number | 64499-63-4 |
|---|---|
| SMILES | C1=CC=NC(=C1)C=C(C#N)C#N |
Product Overview
2-吡啶亚甲基丙二腈 (CAS 64499-63-4), with molecular formula C9H5N3 and molecular weight 155.05 g/mol. IUPAC: 2-(pyridin-2-ylmethylidene)propanedinitrile.
Chemical Property Profile of 2-吡啶亚甲基丙二腈
Property Insights of 2-吡啶亚甲基丙二腈
The XLogP value of 1.51216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-吡啶亚甲基丙二腈. The TPSA of 60.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-吡啶亚甲基丙二腈. Following Lipinski's Rule of Five, 2-吡啶亚甲基丙二腈 has 0 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 2-吡啶亚甲基丙二腈?
The CAS number of 2-吡啶亚甲基丙二腈 is 64499-63-4.
What is the molecular formula of 2-吡啶亚甲基丙二腈?
The molecular formula of 2-吡啶亚甲基丙二腈 is C9H5N3.
What is the molecular weight of 2-吡啶亚甲基丙二腈?
The molecular weight of 2-吡啶亚甲基丙二腈 is 155.05 g/mol.
Where can I buy 2-吡啶亚甲基丙二腈?
You can request a quote for 2-吡啶亚甲基丙二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-吡啶亚甲基丙二腈?
Yes, KEHONG BIO provides custom synthesis services for 2-吡啶亚甲基丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.