Methyl 3-(acetyloxy)-2-bromo-3-(3,4-dimethoxyphenyl)propanoate
TL;DR: Methyl 3-(acetyloxy)-2-bromo-3-(3,4-dimethoxyphenyl)propanoate (CAS 61019-28-1) is a chemical compound with molecular formula C14H17BrO6 and molecular weight 360.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-acetyloxy-2-bromo-3-(3,4-dimethoxyphenyl)propanoate
Also Known As: methyl 3-(acetyloxy)-2-bromo-3-(3,4-dimethoxyphenyl)propanoate, 1H-Isoindol-1-one,3-(acetyloxy)-2,3-dihydro-2-(phenylmethyl), methyl 3-acetyloxy-2-bromo-3-(3,4-dimethoxyphenyl)propanoate, 3-Acetoxy-2-brom-3-(3,4-dimethoxy-phenyl)-propionsaeure-methylester
| Molecular Formula | C14H17BrO6 |
|---|---|
| Molecular Weight | 360.02 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 360.02084 |
| Heavy Atoms | 21 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 61019-28-1 |
|---|---|
| SMILES | CC(=O)OC(C1=CC(=C(C=C1)OC)OC)C(C(=O)OC)Br |
| InChIKey | QXFPBDSWSBVBSX-UHFFFAOYSA-N |
Product Overview
Methyl 3-(acetyloxy)-2-bromo-3-(3,4-dimethoxyphenyl)propanoate (CAS 61019-28-1), with molecular formula C14H17BrO6 and molecular weight 360.02 g/mol. IUPAC: methyl 3-acetyloxy-2-bromo-3-(3,4-dimethoxyphenyl)propanoate.
Chemical Property Profile of Methyl 3-(acetyloxy)-2-bromo-3-(3,4-dimethoxyphenyl)propanoate
Property Insights of Methyl 3-(acetyloxy)-2-bromo-3-(3,4-dimethoxyphenyl)propanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(acetyloxy)-2-bromo-3-(3,4-dimethoxyphenyl)propanoate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(acetyloxy)-2-bromo-3-(3,4-dimethoxyphenyl)propanoate. Following Lipinski's Rule of Five, Methyl 3-(acetyloxy)-2-bromo-3-(3,4-dimethoxyphenyl)propanoate has 0 hydrogen bond donor(s) and 6 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 3-(acetyloxy)-2-bromo-3-(3,4-dimethoxyphenyl)propanoate?
The CAS number of Methyl 3-(acetyloxy)-2-bromo-3-(3,4-dimethoxyphenyl)propanoate is 61019-28-1.
What is the molecular formula of Methyl 3-(acetyloxy)-2-bromo-3-(3,4-dimethoxyphenyl)propanoate?
The molecular formula of Methyl 3-(acetyloxy)-2-bromo-3-(3,4-dimethoxyphenyl)propanoate is C14H17BrO6.
What is the molecular weight of Methyl 3-(acetyloxy)-2-bromo-3-(3,4-dimethoxyphenyl)propanoate?
The molecular weight of Methyl 3-(acetyloxy)-2-bromo-3-(3,4-dimethoxyphenyl)propanoate is 360.02 g/mol.
Where can I buy Methyl 3-(acetyloxy)-2-bromo-3-(3,4-dimethoxyphenyl)propanoate?
You can request a quote for Methyl 3-(acetyloxy)-2-bromo-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 3-(acetyloxy)-2-bromo-3-(3,4-dimethoxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(acetyloxy)-2-bromo-3-(3,4-dimethoxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.