3,4-二氧代-2,5-二苯基己二腈
TL;DR: 3,4-二氧代-2,5-二苯基己二腈 (CAS 10471-29-1) is a chemical compound with molecular formula C18H12N2O2 and molecular weight 288.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-二氧代-2,5-二苯基己二腈
3,4-dioxo-2,5-diphenylhexanedinitrile
Also Known As: 3,4-dioxo-2,5-diphenylhexanedinitrile, alpha,delta-Diphenylketipontrile, 2,5-diphenyl-3,4-dioxoadiponitrile, KETIPONTRILE, alpha,delta-DIPHENYL-, Hexanedinitrile, 3,4-dioxo-2,5-diphenyl-
| Molecular Formula | C18H12N2O2 |
|---|---|
| Molecular Weight | 288.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.08987 |
| Heavy Atoms | 22 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 10471-29-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)C(=O)C(=O)C(C#N)C2=CC=CC=C2 |
| InChIKey | WGUBEMUTFOZPGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-二氧代-2,5-二苯基己二腈 (CAS 10471-29-1), with molecular formula C18H12N2O2 and molecular weight 288.09 g/mol. IUPAC: 3,4-dioxo-2,5-diphenylhexanedinitrile.
Chemical Property Profile of 3,4-二氧代-2,5-二苯基己二腈
Property Insights of 3,4-二氧代-2,5-二苯基己二腈
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-二氧代-2,5-二苯基己二腈. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-二氧代-2,5-二苯基己二腈. Following Lipinski's Rule of Five, 3,4-二氧代-2,5-二苯基己二腈 has 0 hydrogen bond donor(s) and 4 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 3,4-二氧代-2,5-二苯基己二腈?
The CAS number of 3,4-二氧代-2,5-二苯基己二腈 is 10471-29-1.
What is the molecular formula of 3,4-二氧代-2,5-二苯基己二腈?
The molecular formula of 3,4-二氧代-2,5-二苯基己二腈 is C18H12N2O2.
What is the molecular weight of 3,4-二氧代-2,5-二苯基己二腈?
The molecular weight of 3,4-二氧代-2,5-二苯基己二腈 is 288.09 g/mol.
Where can I buy 3,4-二氧代-2,5-二苯基己二腈?
You can request a quote for 3,4-二氧代-2,5-二苯基己二腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二氧代-2,5-二苯基己二腈?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二氧代-2,5-二苯基己二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.