Methyl 2,3-dibromo-3-(3,4-dimethoxyphenyl)propanoate
TL;DR: Methyl 2,3-dibromo-3-(3,4-dimethoxyphenyl)propanoate (CAS 6139-84-0) is a chemical compound with molecular formula C12H14Br2O4 and molecular weight 379.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,3-dibromo-3-(3,4-dimethoxyphenyl)propanoate
Also Known As: methyl 2,3-dibromo-3-(3,4-dimethoxyphenyl)propanoate, butyl-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine
| Molecular Formula | C12H14Br2O4 |
|---|---|
| Molecular Weight | 379.93 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.92587 |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 6139-84-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(C(C(=O)OC)Br)Br)OC |
| InChIKey | VUQXQDMEVQHEDS-UHFFFAOYSA-N |
Product Overview
Methyl 2,3-dibromo-3-(3,4-dimethoxyphenyl)propanoate (CAS 6139-84-0), with molecular formula C12H14Br2O4 and molecular weight 379.93 g/mol. IUPAC: methyl 2,3-dibromo-3-(3,4-dimethoxyphenyl)propanoate.
Chemical Property Profile of Methyl 2,3-dibromo-3-(3,4-dimethoxyphenyl)propanoate
Property Insights of Methyl 2,3-dibromo-3-(3,4-dimethoxyphenyl)propanoate
The XLogP value of 3.2 indicates that Methyl 2,3-dibromo-3-(3,4-dimethoxyphenyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Methyl 2,3-dibromo-3-(3,4-dimethoxyphenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,3-dibromo-3-(3,4-dimethoxyphenyl)propanoate has 0 hydrogen bond donor(s) and 4 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 2,3-dibromo-3-(3,4-dimethoxyphenyl)propanoate?
The CAS number of Methyl 2,3-dibromo-3-(3,4-dimethoxyphenyl)propanoate is 6139-84-0.
What is the molecular formula of Methyl 2,3-dibromo-3-(3,4-dimethoxyphenyl)propanoate?
The molecular formula of Methyl 2,3-dibromo-3-(3,4-dimethoxyphenyl)propanoate is C12H14Br2O4.
What is the molecular weight of Methyl 2,3-dibromo-3-(3,4-dimethoxyphenyl)propanoate?
The molecular weight of Methyl 2,3-dibromo-3-(3,4-dimethoxyphenyl)propanoate is 379.93 g/mol.
Where can I buy Methyl 2,3-dibromo-3-(3,4-dimethoxyphenyl)propanoate?
You can request a quote for Methyl 2,3-dibromo-3-(3,4-dimethoxyphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,3-dibromo-3-(3,4-dimethoxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,3-dibromo-3-(3,4-dimethoxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.