2-Bromo-3-methoxybutanoic acid
TL;DR: 2-Bromo-3-methoxybutanoic acid (CAS 78558-95-9) is a chemical compound with molecular formula C5H9BrO3 and molecular weight 195.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3-methoxybutanoic acid
Also Known As: 2-bromo-3-methoxybutanoic acid, 2-bromo-3-methoxybutanoicacid, 2-bromo-3-methoxy-butyric acid, 2-bromo-3-methoxy-butanoic acid, Butanoic acid,2-bromo-3-methoxy
| Molecular Formula | C5H9BrO3 |
|---|---|
| Molecular Weight | 195.97 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.97351 |
| Heavy Atoms | 9 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 78558-95-9 |
|---|---|
| SMILES | CC(C(C(=O)O)Br)OC |
| InChIKey | YVNDJNXUZODJQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-3-methoxybutanoic acid (CAS 78558-95-9), with molecular formula C5H9BrO3 and molecular weight 195.97 g/mol. IUPAC: 2-bromo-3-methoxybutanoic acid.
Chemical Property Profile of 2-Bromo-3-methoxybutanoic acid
Property Insights of 2-Bromo-3-methoxybutanoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-3-methoxybutanoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 2-Bromo-3-methoxybutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3-methoxybutanoic acid 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 2-Bromo-3-methoxybutanoic acid?
The CAS number of 2-Bromo-3-methoxybutanoic acid is 78558-95-9.
What is the molecular formula of 2-Bromo-3-methoxybutanoic acid?
The molecular formula of 2-Bromo-3-methoxybutanoic acid is C5H9BrO3.
What is the molecular weight of 2-Bromo-3-methoxybutanoic acid?
The molecular weight of 2-Bromo-3-methoxybutanoic acid is 195.97 g/mol.
Where can I buy 2-Bromo-3-methoxybutanoic acid?
You can request a quote for 2-Bromo-3-methoxybutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-3-methoxybutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3-methoxybutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.