3-(Aminomethyl)-4-methylhexanoic acid
TL;DR: 3-(Aminomethyl)-4-methylhexanoic acid (CAS 128013-68-3) is a chemical compound with molecular formula C8H17NO2 and molecular weight 159.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(aminomethyl)-4-methylhexanoic acid
Also Known As: Pregabalin Impurity 135, 3-(AMINOMETHYL)-4-METHYLHEXANOIC ACID, Hexanoic acid, 3-(aminomethyl)-4-methyl-, 3-(aminomethyl)-4-methyl-hexanoic Acid, 3-(1-Methylpropyl)-4-aminobutyric acid
| Molecular Formula | C8H17NO2 |
|---|---|
| Molecular Weight | 159.13 g/mol |
| LogP | 1.0821 |
| Topological Polar Surface Area | 63.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 159.12593 |
| Heavy Atoms | 11 |
| Complexity | 125.26047 |
Chemical Identifiers
| CAS Number | 128013-68-3 |
|---|---|
| SMILES | CCC(C)C(CC(=O)O)CN |
Product Overview
3-(Aminomethyl)-4-methylhexanoic acid (CAS 128013-68-3), with molecular formula C8H17NO2 and molecular weight 159.13 g/mol. IUPAC: 3-(aminomethyl)-4-methylhexanoic acid.
Chemical Property Profile of 3-(Aminomethyl)-4-methylhexanoic acid
Property Insights of 3-(Aminomethyl)-4-methylhexanoic acid
The XLogP value of 1.0821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Aminomethyl)-4-methylhexanoic acid. The TPSA of 63.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Aminomethyl)-4-methylhexanoic acid. Following Lipinski's Rule of Five, 3-(Aminomethyl)-4-methylhexanoic acid has 2 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-(Aminomethyl)-4-methylhexanoic acid?
The CAS number of 3-(Aminomethyl)-4-methylhexanoic acid is 128013-68-3.
What is the molecular formula of 3-(Aminomethyl)-4-methylhexanoic acid?
The molecular formula of 3-(Aminomethyl)-4-methylhexanoic acid is C8H17NO2.
What is the molecular weight of 3-(Aminomethyl)-4-methylhexanoic acid?
The molecular weight of 3-(Aminomethyl)-4-methylhexanoic acid is 159.13 g/mol.
Where can I buy 3-(Aminomethyl)-4-methylhexanoic acid?
You can request a quote for 3-(Aminomethyl)-4-methylhexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Aminomethyl)-4-methylhexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Aminomethyl)-4-methylhexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.