3-(2-氧代吡啶-1(2H)-基)丙腈
TL;DR: 3-(2-氧代吡啶-1(2H)-基)丙腈 (CAS 25386-51-0) is a chemical compound with molecular formula C8H8N2O and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-氧代吡啶-1(2H)-基)丙腈
3-(2-oxo-1-pyridinyl)propanenitrile
Also Known As: 3-(2-oxopyridin-1(2H)-yl)propanenitrile, 3- propanenitrile, 3-(2-oxopyridin-1-yl)propanenitrile, 1-(2-Cyanoethyl)-2-pyridon, 1(2H)-Pyridinepropanenitrile, 2-oxo-
| Molecular Formula | C8H8N2O |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.06366 |
| Heavy Atoms | 11 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 25386-51-0 |
|---|---|
| SMILES | C1=CC(=O)N(C=C1)CCC#N |
| InChIKey | MJTBYZQWCCOBSJ-UHFFFAOYSA-N |
Product Overview
3-(2-氧代吡啶-1(2H)-基)丙腈 (CAS 25386-51-0), with molecular formula C8H8N2O and molecular weight 148.06 g/mol. IUPAC: 3-(2-oxo-1-pyridinyl)propanenitrile.
Chemical Property Profile of 3-(2-氧代吡啶-1(2H)-基)丙腈
Property Insights of 3-(2-氧代吡啶-1(2H)-基)丙腈
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-氧代吡啶-1(2H)-基)丙腈. With a topological polar surface area (TPSA) of 44.1 Ų, 3-(2-氧代吡啶-1(2H)-基)丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-氧代吡啶-1(2H)-基)丙腈 has 0 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-(2-氧代吡啶-1(2H)-基)丙腈?
The CAS number of 3-(2-氧代吡啶-1(2H)-基)丙腈 is 25386-51-0.
What is the molecular formula of 3-(2-氧代吡啶-1(2H)-基)丙腈?
The molecular formula of 3-(2-氧代吡啶-1(2H)-基)丙腈 is C8H8N2O.
What is the molecular weight of 3-(2-氧代吡啶-1(2H)-基)丙腈?
The molecular weight of 3-(2-氧代吡啶-1(2H)-基)丙腈 is 148.06 g/mol.
Where can I buy 3-(2-氧代吡啶-1(2H)-基)丙腈?
You can request a quote for 3-(2-氧代吡啶-1(2H)-基)丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-氧代吡啶-1(2H)-基)丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-氧代吡啶-1(2H)-基)丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.