2-Cyano-5-methyl-2-(3-methylbut-2-en-1-yl)hex-4-enoic acid
TL;DR: 2-Cyano-5-methyl-2-(3-methylbut-2-en-1-yl)hex-4-enoic acid (CAS 189640-37-7) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-5-methyl-2-(3-methylbut-2-enyl)hex-4-enoic acid
Also Known As: 2-cyano-5-methyl-2-(3-methylbut-2-enyl)hex-4-enoic acid, Maybridge1_002525, DivK1c_001277, RARECHEM AQ A3 0012, CDS1_000237
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 3.29358 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 330.6191 |
Chemical Identifiers
| CAS Number | 189640-37-7 |
|---|---|
| SMILES | CC(=CCC(CC=C(C)C)(C#N)C(=O)O)C |
Product Overview
2-Cyano-5-methyl-2-(3-methylbut-2-en-1-yl)hex-4-enoic acid (CAS 189640-37-7), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: 2-cyano-5-methyl-2-(3-methylbut-2-enyl)hex-4-enoic acid.
Chemical Property Profile of 2-Cyano-5-methyl-2-(3-methylbut-2-en-1-yl)hex-4-enoic acid
Property Insights of 2-Cyano-5-methyl-2-(3-methylbut-2-en-1-yl)hex-4-enoic acid
The XLogP value of 3.29358 indicates that 2-Cyano-5-methyl-2-(3-methylbut-2-en-1-yl)hex-4-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-5-methyl-2-(3-methylbut-2-en-1-yl)hex-4-enoic acid. Following Lipinski's Rule of Five, 2-Cyano-5-methyl-2-(3-methylbut-2-en-1-yl)hex-4-enoic acid has 1 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 2-Cyano-5-methyl-2-(3-methylbut-2-en-1-yl)hex-4-enoic acid?
The CAS number of 2-Cyano-5-methyl-2-(3-methylbut-2-en-1-yl)hex-4-enoic acid is 189640-37-7.
What is the molecular formula of 2-Cyano-5-methyl-2-(3-methylbut-2-en-1-yl)hex-4-enoic acid?
The molecular formula of 2-Cyano-5-methyl-2-(3-methylbut-2-en-1-yl)hex-4-enoic acid is C13H19NO2.
What is the molecular weight of 2-Cyano-5-methyl-2-(3-methylbut-2-en-1-yl)hex-4-enoic acid?
The molecular weight of 2-Cyano-5-methyl-2-(3-methylbut-2-en-1-yl)hex-4-enoic acid is 221.14 g/mol.
Where can I buy 2-Cyano-5-methyl-2-(3-methylbut-2-en-1-yl)hex-4-enoic acid?
You can request a quote for 2-Cyano-5-methyl-2-(3-methylbut-2-en-1-yl)hex-4-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-5-methyl-2-(3-methylbut-2-en-1-yl)hex-4-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-5-methyl-2-(3-methylbut-2-en-1-yl)hex-4-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.