异壬腈
TL;DR: 异壬腈 (CAS 51729-59-0) is a chemical compound with molecular formula C9H17N and molecular weight 139.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异壬腈
7-methyloctanenitrile
Also Known As: Isononanenitrile, 7-methyloctanenitrile, Isononanonitrile, iso-Nonyl nitrile, i-nonanenitrile
| Molecular Formula | C9H17N |
|---|---|
| Molecular Weight | 139.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 139.1361 |
| Heavy Atoms | 10 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 51729-59-0 |
|---|---|
| SMILES | CC(C)CCCCCC#N |
| InChIKey | DQEFWXWJTWMWEK-UHFFFAOYSA-N |
Product Overview
异壬腈 (CAS 51729-59-0), with molecular formula C9H17N and molecular weight 139.14 g/mol. IUPAC: 7-methyloctanenitrile.
Chemical Property Profile of 异壬腈
Property Insights of 异壬腈
The XLogP value of 3.0 indicates that 异壬腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 异壬腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异壬腈 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 异壬腈?
The CAS number of 异壬腈 is 51729-59-0.
What is the molecular formula of 异壬腈?
The molecular formula of 异壬腈 is C9H17N.
What is the molecular weight of 异壬腈?
The molecular weight of 异壬腈 is 139.14 g/mol.
Where can I buy 异壬腈?
You can request a quote for 异壬腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异壬腈?
Yes, KEHONG BIO provides custom synthesis services for 异壬腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.