(2-苯基亚丙基)丙二腈
TL;DR: (2-苯基亚丙基)丙二腈 (CAS 88106-71-2) is a chemical compound with molecular formula C12H10N2 and molecular weight 182.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-苯基亚丙基)丙二腈
2-(2-phenylpropylidene)propanedinitrile
Also Known As: 2-Phenylpropylidenemalononitrile, Hydrotropylidenemalononitrile, 2-(2-phenylpropylidene)propanedinitrile, MALONONITRILE, (2-PHENYLPROPYLIDENE)-, (2-Phenylpropylidene)malononitrile
| Molecular Formula | C12H10N2 |
|---|---|
| Molecular Weight | 182.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.0844 |
| Heavy Atoms | 14 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 88106-71-2 |
|---|---|
| SMILES | CC(C=C(C#N)C#N)C1=CC=CC=C1 |
| InChIKey | GNGPAHQFSYSOEN-UHFFFAOYSA-N |
Product Overview
(2-苯基亚丙基)丙二腈 (CAS 88106-71-2), with molecular formula C12H10N2 and molecular weight 182.08 g/mol. IUPAC: 2-(2-phenylpropylidene)propanedinitrile.
Chemical Property Profile of (2-苯基亚丙基)丙二腈
Property Insights of (2-苯基亚丙基)丙二腈
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-苯基亚丙基)丙二腈. With a topological polar surface area (TPSA) of 47.6 Ų, (2-苯基亚丙基)丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-苯基亚丙基)丙二腈 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 (2-苯基亚丙基)丙二腈?
The CAS number of (2-苯基亚丙基)丙二腈 is 88106-71-2.
What is the molecular formula of (2-苯基亚丙基)丙二腈?
The molecular formula of (2-苯基亚丙基)丙二腈 is C12H10N2.
What is the molecular weight of (2-苯基亚丙基)丙二腈?
The molecular weight of (2-苯基亚丙基)丙二腈 is 182.08 g/mol.
Where can I buy (2-苯基亚丙基)丙二腈?
You can request a quote for (2-苯基亚丙基)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-苯基亚丙基)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for (2-苯基亚丙基)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.