(1,3,5-Cycloheptatrien-7-yl)propanedinitrile
TL;DR: (1,3,5-Cycloheptatrien-7-yl)propanedinitrile (CAS 1875-61-2) is a chemical compound with molecular formula C10H8N2 and molecular weight 156.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyclohepta-2,4,6-trien-1-ylpropanedinitrile
Also Known As: (2,4,6-Cycloheptatrienyl)malononitrile, (1,3,5-Cycloheptatrien-7-yl)propanedinitrile, 2-(2,4,6-Cycloheptatrien-1-yl)malononitrile, J1.398.556A, 2-cyclohepta-2,4,6-trien-1-ylpropanedinitrile
| Molecular Formula | C10H8N2 |
|---|---|
| Molecular Weight | 156.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.06874 |
| Heavy Atoms | 12 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 1875-61-2 |
|---|---|
| SMILES | C1=CC=CC(C=C1)C(C#N)C#N |
| InChIKey | WGJPUTUUZWBTKX-UHFFFAOYSA-N |
Product Overview
(1,3,5-Cycloheptatrien-7-yl)propanedinitrile (CAS 1875-61-2), with molecular formula C10H8N2 and molecular weight 156.07 g/mol. IUPAC: 2-cyclohepta-2,4,6-trien-1-ylpropanedinitrile.
Chemical Property Profile of (1,3,5-Cycloheptatrien-7-yl)propanedinitrile
Property Insights of (1,3,5-Cycloheptatrien-7-yl)propanedinitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,3,5-Cycloheptatrien-7-yl)propanedinitrile. With a topological polar surface area (TPSA) of 47.6 Ų, (1,3,5-Cycloheptatrien-7-yl)propanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,3,5-Cycloheptatrien-7-yl)propanedinitrile 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 (1,3,5-Cycloheptatrien-7-yl)propanedinitrile?
The CAS number of (1,3,5-Cycloheptatrien-7-yl)propanedinitrile is 1875-61-2.
What is the molecular formula of (1,3,5-Cycloheptatrien-7-yl)propanedinitrile?
The molecular formula of (1,3,5-Cycloheptatrien-7-yl)propanedinitrile is C10H8N2.
What is the molecular weight of (1,3,5-Cycloheptatrien-7-yl)propanedinitrile?
The molecular weight of (1,3,5-Cycloheptatrien-7-yl)propanedinitrile is 156.07 g/mol.
Where can I buy (1,3,5-Cycloheptatrien-7-yl)propanedinitrile?
You can request a quote for (1,3,5-Cycloheptatrien-7-yl)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3,5-Cycloheptatrien-7-yl)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for (1,3,5-Cycloheptatrien-7-yl)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.