Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
TL;DR: Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate (CAS 61016-60-2) is a chemical compound with molecular formula C12H15BrO5 and molecular weight 318.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
Also Known As: methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate, Benzenepropanoic acid,4-dimethoxy-, methyl ester, Hydracrylic acid,4-dimethoxyphenyl)-, methyl ester, Hydracrylic acid, 2-bromo-3-(3,4-dimethoxyphenyl)-, methyl ester, 1,4-Naphthoquinone,2-bromo-3-[(2-hydroxyethyl)amino]-(7CI)
| Molecular Formula | C12H15BrO5 |
|---|---|
| Molecular Weight | 318.01 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.01028 |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 61016-60-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(C(C(=O)OC)Br)O)OC |
| InChIKey | RYYMZWXGKKBRNJ-UHFFFAOYSA-N |
Product Overview
Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate (CAS 61016-60-2), with molecular formula C12H15BrO5 and molecular weight 318.01 g/mol. IUPAC: methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate.
Chemical Property Profile of Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
Property Insights of Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate. Following Lipinski's Rule of Five, Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate has 1 hydrogen bond donor(s) and 5 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-(3,4-dimethoxyphenyl)-3-hydroxypropanoate?
The CAS number of Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate is 61016-60-2.
What is the molecular formula of Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate?
The molecular formula of Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate is C12H15BrO5.
What is the molecular weight of Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate?
The molecular weight of Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate is 318.01 g/mol.
Where can I buy Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate?
You can request a quote for Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate 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-(3,4-dimethoxyphenyl)-3-hydroxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.