Hexanoic acid, 2-cyano-, methyl ester
TL;DR: Hexanoic acid, 2-cyano-, methyl ester (CAS 7309-69-5) is a chemical compound with molecular formula C8H13NO2 and molecular weight 155.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyanohexanoate
Also Known As: methyl 2-cyanohexanoate, Methyl-2-cyanohexanoate, Hexanoic acid, 2-cyano-, methyl ester, 2-cyano-hexanoic acid methyl ester, 2-Cyanohexanoic acid methyl ester
| Molecular Formula | C8H13NO2 |
|---|---|
| Molecular Weight | 155.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 155.09464 |
| Heavy Atoms | 11 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 7309-69-5 |
|---|---|
| SMILES | CCCCC(C#N)C(=O)OC |
| InChIKey | HNIMUKWIOXPQIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanoic acid, 2-cyano-, methyl ester (CAS 7309-69-5), with molecular formula C8H13NO2 and molecular weight 155.09 g/mol. IUPAC: methyl 2-cyanohexanoate.
Chemical Property Profile of Hexanoic acid, 2-cyano-, methyl ester
Property Insights of Hexanoic acid, 2-cyano-, methyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanoic acid, 2-cyano-, methyl ester. With a topological polar surface area (TPSA) of 50.1 Ų, Hexanoic acid, 2-cyano-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 2-cyano-, methyl ester 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 Hexanoic acid, 2-cyano-, methyl ester?
The CAS number of Hexanoic acid, 2-cyano-, methyl ester is 7309-69-5.
What is the molecular formula of Hexanoic acid, 2-cyano-, methyl ester?
The molecular formula of Hexanoic acid, 2-cyano-, methyl ester is C8H13NO2.
What is the molecular weight of Hexanoic acid, 2-cyano-, methyl ester?
The molecular weight of Hexanoic acid, 2-cyano-, methyl ester is 155.09 g/mol.
Where can I buy Hexanoic acid, 2-cyano-, methyl ester?
You can request a quote for Hexanoic acid, 2-cyano-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 2-cyano-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 2-cyano-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.