Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-methoxypropanoate
TL;DR: Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-methoxypropanoate (CAS 61019-26-9) is a chemical compound with molecular formula C13H17BrO5 and molecular weight 332.03 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-methoxypropanoate
Also Known As: methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-methoxypropanoate
| Molecular Formula | C13H17BrO5 |
|---|---|
| Molecular Weight | 332.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.02594 |
| Heavy Atoms | 19 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 61019-26-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(C(C(=O)OC)Br)OC)OC |
| InChIKey | VZGSUAGRBQUVJP-UHFFFAOYSA-N |
Product Overview
Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-methoxypropanoate (CAS 61019-26-9), with molecular formula C13H17BrO5 and molecular weight 332.03 g/mol. IUPAC: methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-methoxypropanoate.
Chemical Property Profile of Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-methoxypropanoate
Property Insights of Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-methoxypropanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-methoxypropanoate. With a topological polar surface area (TPSA) of 54.0 Ų, Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-methoxypropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-methoxypropanoate has 0 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-methoxypropanoate?
The CAS number of Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-methoxypropanoate is 61019-26-9.
What is the molecular formula of Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-methoxypropanoate?
The molecular formula of Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-methoxypropanoate is C13H17BrO5.
What is the molecular weight of Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-methoxypropanoate?
The molecular weight of Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-methoxypropanoate is 332.03 g/mol.
Where can I buy Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-methoxypropanoate?
You can request a quote for Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-methoxypropanoate 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-methoxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-bromo-3-(3,4-dimethoxyphenyl)-3-methoxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.