缬氨酸甲酯
TL;DR: 缬氨酸甲酯 (CAS 4070-48-8) is a chemical compound with molecular formula C6H13NO2 and molecular weight 131.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
缬氨酸甲酯
methyl (2S)-2-amino-3-methylbutanoate
Also Known As: Methyl L-valinate, L-VALINE METHYL ESTER, L-Valine, methyl ester, Methyl valine, Valine methyl ester
| Molecular Formula | C6H13NO2 |
|---|---|
| Molecular Weight | 131.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 131.09464 |
| Heavy Atoms | 9 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 4070-48-8 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)OC)N |
| InChIKey | CEMZBWPSKYISTN-YFKPBYRVSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
缬氨酸甲酯 (CAS 4070-48-8), with molecular formula C6H13NO2 and molecular weight 131.09 g/mol. IUPAC: methyl (2S)-2-amino-3-methylbutanoate.
Chemical Property Profile of 缬氨酸甲酯
Property Insights of 缬氨酸甲酯
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 缬氨酸甲酯. With a topological polar surface area (TPSA) of 52.3 Ų, 缬氨酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 缬氨酸甲酯 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
Frequently Asked Questions
What is the CAS number of 缬氨酸甲酯?
The CAS number of 缬氨酸甲酯 is 4070-48-8.
What is the molecular formula of 缬氨酸甲酯?
The molecular formula of 缬氨酸甲酯 is C6H13NO2.
What is the molecular weight of 缬氨酸甲酯?
The molecular weight of 缬氨酸甲酯 is 131.09 g/mol.
Where can I buy 缬氨酸甲酯?
You can request a quote for 缬氨酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 缬氨酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 缬氨酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.