4,4-Dimethylisoleucine
TL;DR: 4,4-Dimethylisoleucine (CAS 59759-95-4) 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.
2-amino-3,4,4-trimethylpentanoic acid
Also Known As: 4,4-Dimethylisoleucine, 2-amino-3,4,4-trimethylpentanoic acid
| Molecular Formula | C8H17NO2 |
|---|---|
| Molecular Weight | 159.13 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.12593 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 59759-95-4 |
|---|---|
| SMILES | CC(C(C(=O)O)N)C(C)(C)C |
| InChIKey | VSVANDHBXJEGCX-UHFFFAOYSA-N |
Product Overview
4,4-Dimethylisoleucine (CAS 59759-95-4), with molecular formula C8H17NO2 and molecular weight 159.13 g/mol. IUPAC: 2-amino-3,4,4-trimethylpentanoic acid.
Chemical Property Profile of 4,4-Dimethylisoleucine
Property Insights of 4,4-Dimethylisoleucine
The XLogP value of -1.1 indicates that 4,4-Dimethylisoleucine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Dimethylisoleucine. Following Lipinski's Rule of Five, 4,4-Dimethylisoleucine has 2 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 4,4-Dimethylisoleucine?
The CAS number of 4,4-Dimethylisoleucine is 59759-95-4.
What is the molecular formula of 4,4-Dimethylisoleucine?
The molecular formula of 4,4-Dimethylisoleucine is C8H17NO2.
What is the molecular weight of 4,4-Dimethylisoleucine?
The molecular weight of 4,4-Dimethylisoleucine is 159.13 g/mol.
Where can I buy 4,4-Dimethylisoleucine?
You can request a quote for 4,4-Dimethylisoleucine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethylisoleucine?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethylisoleucine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.