Pyrrole-2,5-diacetonitrile
TL;DR: Pyrrole-2,5-diacetonitrile (CAS 3438-34-4) is a chemical compound with molecular formula C8H7N3 and molecular weight 145.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(cyanomethyl)-1H-pyrrol-2-yl]acetonitrile
Also Known As: Pyrrole-2,5-diacetonitrile, 2,5-bis(cyanomethyl)pyrrole, 1H-Pyrrole-2,5-diacetonitrile, 2,5-Bis(cyanmethyl)pyrrol, 2-[5-(cyanomethyl)-1H-pyrrol-2-yl]acetonitrile
| Molecular Formula | C8H7N3 |
|---|---|
| Molecular Weight | 145.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 145.064 |
| Heavy Atoms | 11 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 3438-34-4 |
|---|---|
| SMILES | C1=C(NC(=C1)CC#N)CC#N |
| InChIKey | ZYFDHDRFNKOVHN-UHFFFAOYSA-N |
Product Overview
Pyrrole-2,5-diacetonitrile (CAS 3438-34-4), with molecular formula C8H7N3 and molecular weight 145.06 g/mol. IUPAC: 2-[5-(cyanomethyl)-1H-pyrrol-2-yl]acetonitrile.
Chemical Property Profile of Pyrrole-2,5-diacetonitrile
Property Insights of Pyrrole-2,5-diacetonitrile
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrole-2,5-diacetonitrile. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrole-2,5-diacetonitrile. Following Lipinski's Rule of Five, Pyrrole-2,5-diacetonitrile 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 Pyrrole-2,5-diacetonitrile?
The CAS number of Pyrrole-2,5-diacetonitrile is 3438-34-4.
What is the molecular formula of Pyrrole-2,5-diacetonitrile?
The molecular formula of Pyrrole-2,5-diacetonitrile is C8H7N3.
What is the molecular weight of Pyrrole-2,5-diacetonitrile?
The molecular weight of Pyrrole-2,5-diacetonitrile is 145.06 g/mol.
Where can I buy Pyrrole-2,5-diacetonitrile?
You can request a quote for Pyrrole-2,5-diacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrole-2,5-diacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Pyrrole-2,5-diacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.