(2Z)-2,3-Diphenyl-2-butenedinitrile
TL;DR: (2Z)-2,3-Diphenyl-2-butenedinitrile (CAS 4591-16-6) is a chemical compound with molecular formula C16H10N2 and molecular weight 230.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-diphenylbut-2-enedinitrile
Also Known As: dicyanostilbene, 2,3-Diphenyl-2-butenedinitrile, 2,3-diphenylbut-2-enedinitrile, (E)-2,3-diphenylbut-2-enedinitrile, (2Z)-2,3-Diphenyl-2-butenedinitrile
| Molecular Formula | C16H10N2 |
|---|---|
| Molecular Weight | 230.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.0844 |
| Heavy Atoms | 18 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 4591-16-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=C(C#N)C2=CC=CC=C2)C#N |
| InChIKey | VFBJMPNFKOMEEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2Z)-2,3-Diphenyl-2-butenedinitrile (CAS 4591-16-6), with molecular formula C16H10N2 and molecular weight 230.08 g/mol. IUPAC: 2,3-diphenylbut-2-enedinitrile.
Chemical Property Profile of (2Z)-2,3-Diphenyl-2-butenedinitrile
Property Insights of (2Z)-2,3-Diphenyl-2-butenedinitrile
The XLogP value of 3.2 indicates that (2Z)-2,3-Diphenyl-2-butenedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, (2Z)-2,3-Diphenyl-2-butenedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2Z)-2,3-Diphenyl-2-butenedinitrile 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 (2Z)-2,3-Diphenyl-2-butenedinitrile?
The CAS number of (2Z)-2,3-Diphenyl-2-butenedinitrile is 4591-16-6.
What is the molecular formula of (2Z)-2,3-Diphenyl-2-butenedinitrile?
The molecular formula of (2Z)-2,3-Diphenyl-2-butenedinitrile is C16H10N2.
What is the molecular weight of (2Z)-2,3-Diphenyl-2-butenedinitrile?
The molecular weight of (2Z)-2,3-Diphenyl-2-butenedinitrile is 230.08 g/mol.
Where can I buy (2Z)-2,3-Diphenyl-2-butenedinitrile?
You can request a quote for (2Z)-2,3-Diphenyl-2-butenedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-2,3-Diphenyl-2-butenedinitrile?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2,3-Diphenyl-2-butenedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.