Valine, butyl ester
TL;DR: Valine, butyl ester (CAS 110470-28-5) is a chemical compound with molecular formula C9H19NO2 and molecular weight 173.14159 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl (2R)-2-amino-3-methylbutanoate
Also Known As: Valine, butyl ester, L-Valine, butyl ester, butyl 2-amino-3-methylbutanoate, butyl (2R)-2-amino-3-methylbutanoate
Technical Specifications
| Molecular Formula | C9H19NO2 |
| Molecular Weight | 173.14159 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 173.14159 Da |
| Heavy Atoms | 12 |
| Complexity | 134.0 |
| SMILES | CCCCOC(=O)[C@@H](C(C)C)N |
| InChIKey | KIVHHEUXDIMERT-MRVPVSSYSA-N |
Chemical Property Profile of Valine, butyl ester
Property Insights of Valine, butyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valine, butyl ester. With a topological polar surface area (TPSA) of 52.3 Ų, Valine, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valine, butyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Valine, butyl ester?
The CAS number of Valine, butyl ester is 110470-28-5.
What is the molecular formula of Valine, butyl ester?
The molecular formula of Valine, butyl ester is C9H19NO2.
What is the molecular weight of Valine, butyl ester?
The molecular weight of Valine, butyl ester is 173.14159 g/mol.
Where can I buy Valine, butyl ester?
You can request a quote for Valine, butyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Valine, butyl ester?
Yes, CoreyChem provides custom synthesis services for Valine, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.