Methyl valinate hydrochloride
TL;DR: Methyl valinate hydrochloride (CAS 6306-52-1) is a chemical compound with molecular formula C6H14ClNO2 and molecular weight 167.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-amino-3-methylbutanoate;hydrochloride
Also Known As: L-Valine methyl ester hydrochloride, H-Val-OMe.HCl, h-val-ome hcl, h-l-val-ome hcl, Methyl valinate HCl
| Molecular Formula | C6H14ClNO2 |
|---|---|
| Molecular Weight | 167.07 g/mol |
| LogP | 0.56 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.0713 |
| Heavy Atoms | 10 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 6306-52-1 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OC)N.Cl |
| InChIKey | KUGLDBMQKZTXPW-JEDNCBNOSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl valinate hydrochloride (CAS 6306-52-1), with molecular formula C6H14ClNO2 and molecular weight 167.07 g/mol. IUPAC: methyl (2S)-2-amino-3-methylbutanoate;hydrochloride.
Chemical Property Profile of Methyl valinate hydrochloride
Property Insights of Methyl valinate hydrochloride
The XLogP value of 0.56 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl valinate hydrochloride. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl valinate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl valinate hydrochloride 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 Methyl valinate hydrochloride?
The CAS number of Methyl valinate hydrochloride is 6306-52-1.
What is the molecular formula of Methyl valinate hydrochloride?
The molecular formula of Methyl valinate hydrochloride is C6H14ClNO2.
What is the molecular weight of Methyl valinate hydrochloride?
The molecular weight of Methyl valinate hydrochloride is 167.07 g/mol.
Where can I buy Methyl valinate hydrochloride?
You can request a quote for Methyl valinate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl valinate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Methyl valinate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.