1-Cyanoethyl nonanoate
TL;DR: 1-Cyanoethyl nonanoate (CAS 6325-36-6) is a chemical compound with molecular formula C12H21NO2 and molecular weight 211.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyanoethyl nonanoate
Also Known As: 1-cyanoethyl nonanoate, 6-chloro-2,9-diethyl-9H-purine
| Molecular Formula | C12H21NO2 |
|---|---|
| Molecular Weight | 211.16 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 211.15723 |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 6325-36-6 |
|---|---|
| SMILES | CCCCCCCCC(=O)OC(C)C#N |
| InChIKey | MLBPSEQYNWXISB-UHFFFAOYSA-N |
Product Overview
1-Cyanoethyl nonanoate (CAS 6325-36-6), with molecular formula C12H21NO2 and molecular weight 211.16 g/mol. IUPAC: 1-cyanoethyl nonanoate.
Chemical Property Profile of 1-Cyanoethyl nonanoate
Property Insights of 1-Cyanoethyl nonanoate
The XLogP value of 3.8 indicates that 1-Cyanoethyl nonanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, 1-Cyanoethyl nonanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyanoethyl nonanoate has 0 hydrogen bond donor(s) and 3 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-Cyanoethyl nonanoate?
The CAS number of 1-Cyanoethyl nonanoate is 6325-36-6.
What is the molecular formula of 1-Cyanoethyl nonanoate?
The molecular formula of 1-Cyanoethyl nonanoate is C12H21NO2.
What is the molecular weight of 1-Cyanoethyl nonanoate?
The molecular weight of 1-Cyanoethyl nonanoate is 211.16 g/mol.
Where can I buy 1-Cyanoethyl nonanoate?
You can request a quote for 1-Cyanoethyl nonanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyanoethyl nonanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyanoethyl nonanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.