Methyl 2-bromo-3-methoxybutanoate
TL;DR: Methyl 2-bromo-3-methoxybutanoate (CAS 97962-11-3) is a chemical compound with molecular formula C6H11BrO3 and molecular weight 209.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromo-3-methoxybutanoate
Also Known As: methyl 2-bromo-3-methoxybutanoate, methyl 2-bromo-3-methoxybutyrate, alpha-Brom-beta-methoxy-buttersaure-methylester
| Molecular Formula | C6H11BrO3 |
|---|---|
| Molecular Weight | 209.99 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.98917 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 97962-11-3 |
|---|---|
| SMILES | CC(C(C(=O)OC)Br)OC |
| InChIKey | QWXOTWUMNKURSV-UHFFFAOYSA-N |
Product Overview
Methyl 2-bromo-3-methoxybutanoate (CAS 97962-11-3), with molecular formula C6H11BrO3 and molecular weight 209.99 g/mol. IUPAC: methyl 2-bromo-3-methoxybutanoate.
Chemical Property Profile of Methyl 2-bromo-3-methoxybutanoate
Property Insights of Methyl 2-bromo-3-methoxybutanoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-bromo-3-methoxybutanoate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 2-bromo-3-methoxybutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-bromo-3-methoxybutanoate has 0 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 2-bromo-3-methoxybutanoate?
The CAS number of Methyl 2-bromo-3-methoxybutanoate is 97962-11-3.
What is the molecular formula of Methyl 2-bromo-3-methoxybutanoate?
The molecular formula of Methyl 2-bromo-3-methoxybutanoate is C6H11BrO3.
What is the molecular weight of Methyl 2-bromo-3-methoxybutanoate?
The molecular weight of Methyl 2-bromo-3-methoxybutanoate is 209.99 g/mol.
Where can I buy Methyl 2-bromo-3-methoxybutanoate?
You can request a quote for Methyl 2-bromo-3-methoxybutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-bromo-3-methoxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-bromo-3-methoxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.