2-Heptan-3-ylidenepropanedinitrile
TL;DR: 2-Heptan-3-ylidenepropanedinitrile (CAS 13017-56-6) is a chemical compound with molecular formula C10H14N2 and molecular weight 162.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptan-3-ylidenepropanedinitrile
Also Known As: 2-heptan-3-ylidenepropanedinitrile, 2-(heptan-3-ylidene)malononitrile, 2-(1-Ethylpentylidene)malononitrile, 2-(heptan-3-ylidene)propanedinitrile, J2.451.703I
| Molecular Formula | C10H14N2 |
|---|---|
| Molecular Weight | 162.12 g/mol |
| LogP | 2.93036 |
| Topological Polar Surface Area | 47.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 162.11569 |
| Heavy Atoms | 12 |
| Complexity | 221.54465 |
Chemical Identifiers
| CAS Number | 13017-56-6 |
|---|---|
| SMILES | CCCCC(=C(C#N)C#N)CC |
Product Overview
2-Heptan-3-ylidenepropanedinitrile (CAS 13017-56-6), with molecular formula C10H14N2 and molecular weight 162.12 g/mol. IUPAC: 2-heptan-3-ylidenepropanedinitrile.
Chemical Property Profile of 2-Heptan-3-ylidenepropanedinitrile
Property Insights of 2-Heptan-3-ylidenepropanedinitrile
The XLogP value of 2.93036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Heptan-3-ylidenepropanedinitrile. With a topological polar surface area (TPSA) of 47.58 Ų, 2-Heptan-3-ylidenepropanedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Heptan-3-ylidenepropanedinitrile 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-Heptan-3-ylidenepropanedinitrile?
The CAS number of 2-Heptan-3-ylidenepropanedinitrile is 13017-56-6.
What is the molecular formula of 2-Heptan-3-ylidenepropanedinitrile?
The molecular formula of 2-Heptan-3-ylidenepropanedinitrile is C10H14N2.
What is the molecular weight of 2-Heptan-3-ylidenepropanedinitrile?
The molecular weight of 2-Heptan-3-ylidenepropanedinitrile is 162.12 g/mol.
Where can I buy 2-Heptan-3-ylidenepropanedinitrile?
You can request a quote for 2-Heptan-3-ylidenepropanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Heptan-3-ylidenepropanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Heptan-3-ylidenepropanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.