罗氏酯
TL;DR: 罗氏酯 (CAS 80657-57-4) is a chemical compound with molecular formula C5H10O3 and molecular weight 118.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
罗氏酯
methyl 3-hydroxy-2-methylpropanoate
Also Known As: Methyl 3-hydroxy-2-methylpropanoate, ROCHE ESTER, H-D-TRP-OET.HCL, (S)-Methyl 3-hydroxy-2-methylpropanoate, Methyl (S)-(+)-3-hydroxy-2-methylpropionate
| Molecular Formula | C5H10O3 |
|---|---|
| Molecular Weight | 118.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.062996 |
| Heavy Atoms | 8 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 80657-57-4 |
|---|---|
| SMILES | CC(CO)C(=O)OC |
| InChIKey | ATCCIZURPPEVIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
罗氏酯 (CAS 80657-57-4), with molecular formula C5H10O3 and molecular weight 118.06 g/mol. IUPAC: methyl 3-hydroxy-2-methylpropanoate.
Chemical Property Profile of 罗氏酯
Property Insights of 罗氏酯
The XLogP value of -0.1 indicates that 罗氏酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, 罗氏酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 罗氏酯 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 罗氏酯?
The CAS number of 罗氏酯 is 80657-57-4.
What is the molecular formula of 罗氏酯?
The molecular formula of 罗氏酯 is C5H10O3.
What is the molecular weight of 罗氏酯?
The molecular weight of 罗氏酯 is 118.06 g/mol.
Where can I buy 罗氏酯?
You can request a quote for 罗氏酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 罗氏酯?
Yes, KEHONG BIO provides custom synthesis services for 罗氏酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.