3-Isopropyl-6-oxohept-2-enenitrile
TL;DR: 3-Isopropyl-6-oxohept-2-enenitrile (CAS 375832-82-9) is a chemical compound with molecular formula C10H15NO and molecular weight 165.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-6-oxo-3-propan-2-ylhept-2-enenitrile
Also Known As: 3-Isopropyl-6-oxohept-2-enenitrile, (Z)-3-isopropyl-6-oxohept-2-enenitrile, (Z)-6-oxo-3-propan-2-ylhept-2-enenitrile, (2Z)-6-oxo-3-(propan-2-yl)hept-2-enenitrile
| Molecular Formula | C10H15NO |
|---|---|
| Molecular Weight | 165.12 g/mol |
| LogP | 2.46158 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 165.11537 |
| Heavy Atoms | 12 |
| Complexity | 220.4833 |
Chemical Identifiers
| CAS Number | 375832-82-9 |
|---|---|
| SMILES | CC(C)/C(=C\C#N)/CCC(=O)C |
Product Overview
3-Isopropyl-6-oxohept-2-enenitrile (CAS 375832-82-9), with molecular formula C10H15NO and molecular weight 165.12 g/mol. IUPAC: (Z)-6-oxo-3-propan-2-ylhept-2-enenitrile.
Chemical Property Profile of 3-Isopropyl-6-oxohept-2-enenitrile
Property Insights of 3-Isopropyl-6-oxohept-2-enenitrile
The XLogP value of 2.46158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isopropyl-6-oxohept-2-enenitrile. With a topological polar surface area (TPSA) of 40.86 Ų, 3-Isopropyl-6-oxohept-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isopropyl-6-oxohept-2-enenitrile 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 3-Isopropyl-6-oxohept-2-enenitrile?
The CAS number of 3-Isopropyl-6-oxohept-2-enenitrile is 375832-82-9.
What is the molecular formula of 3-Isopropyl-6-oxohept-2-enenitrile?
The molecular formula of 3-Isopropyl-6-oxohept-2-enenitrile is C10H15NO.
What is the molecular weight of 3-Isopropyl-6-oxohept-2-enenitrile?
The molecular weight of 3-Isopropyl-6-oxohept-2-enenitrile is 165.12 g/mol.
Where can I buy 3-Isopropyl-6-oxohept-2-enenitrile?
You can request a quote for 3-Isopropyl-6-oxohept-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-Isopropyl-6-oxohept-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Isopropyl-6-oxohept-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.