3-Propylhept-2-enenitrile
TL;DR: 3-Propylhept-2-enenitrile (CAS 84681-83-4) is a chemical compound with molecular formula C10H17N and molecular weight 151.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propylhept-2-enenitrile
Also Known As: 3-propylhept-2-enenitrile, 3-Propyl-2-heptenenitrile, 2-Heptenenitrile,3-propyl-
| Molecular Formula | C10H17N |
|---|---|
| Molecular Weight | 151.14 g/mol |
| LogP | 3.42668 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 151.1361 |
| Heavy Atoms | 11 |
| Complexity | 150.74594 |
Chemical Identifiers
| CAS Number | 84681-83-4 |
|---|---|
| SMILES | CCCCC(=CC#N)CCC |
Product Overview
3-Propylhept-2-enenitrile (CAS 84681-83-4), with molecular formula C10H17N and molecular weight 151.14 g/mol. IUPAC: 3-propylhept-2-enenitrile.
Chemical Property Profile of 3-Propylhept-2-enenitrile
Property Insights of 3-Propylhept-2-enenitrile
The XLogP value of 3.42668 indicates that 3-Propylhept-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 3-Propylhept-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Propylhept-2-enenitrile has 0 hydrogen bond donor(s) and 1 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-Propylhept-2-enenitrile?
The CAS number of 3-Propylhept-2-enenitrile is 84681-83-4.
What is the molecular formula of 3-Propylhept-2-enenitrile?
The molecular formula of 3-Propylhept-2-enenitrile is C10H17N.
What is the molecular weight of 3-Propylhept-2-enenitrile?
The molecular weight of 3-Propylhept-2-enenitrile is 151.14 g/mol.
Where can I buy 3-Propylhept-2-enenitrile?
You can request a quote for 3-Propylhept-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Propylhept-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Propylhept-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.