(2,2-二苯基亚乙基)丙二腈
TL;DR: (2,2-二苯基亚乙基)丙二腈 (CAS 72227-96-4) is a chemical compound with molecular formula C17H12N2 and molecular weight 244.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-二苯基亚乙基)丙二腈
2-(2,2-diphenylethylidene)propanedinitrile
Also Known As: 2,2-Diphenylethylidenemalononitrile, 2-(2,2-diphenylethylidene)propanedinitrile, MALONONITRILE, (2,2-DIPHENYLETHYLIDENE)-, (2,2-diphenylethylidene)propanedinitrile, 2-(2,2-Diphenylethylidene)malononitrile
| Molecular Formula | C17H12N2 |
|---|---|
| Molecular Weight | 244.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.10005 |
| Heavy Atoms | 19 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 72227-96-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C=C(C#N)C#N)C2=CC=CC=C2 |
| InChIKey | AJWQSBAALRXGHX-UHFFFAOYSA-N |
Product Overview
(2,2-二苯基亚乙基)丙二腈 (CAS 72227-96-4), with molecular formula C17H12N2 and molecular weight 244.10 g/mol. IUPAC: 2-(2,2-diphenylethylidene)propanedinitrile.
Chemical Property Profile of (2,2-二苯基亚乙基)丙二腈
Property Insights of (2,2-二苯基亚乙基)丙二腈
The XLogP value of 3.7 indicates that (2,2-二苯基亚乙基)丙二腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, (2,2-二苯基亚乙基)丙二腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,2-二苯基亚乙基)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 (2,2-二苯基亚乙基)丙二腈?
The CAS number of (2,2-二苯基亚乙基)丙二腈 is 72227-96-4.
What is the molecular formula of (2,2-二苯基亚乙基)丙二腈?
The molecular formula of (2,2-二苯基亚乙基)丙二腈 is C17H12N2.
What is the molecular weight of (2,2-二苯基亚乙基)丙二腈?
The molecular weight of (2,2-二苯基亚乙基)丙二腈 is 244.10 g/mol.
Where can I buy (2,2-二苯基亚乙基)丙二腈?
You can request a quote for (2,2-二苯基亚乙基)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 (2,2-二苯基亚乙基)丙二腈?
Yes, KEHONG BIO provides custom synthesis services for (2,2-二苯基亚乙基)丙二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.