Dimethyl (5-bromo-2-methoxyphenyl)malonate
TL;DR: Dimethyl (5-bromo-2-methoxyphenyl)malonate (CAS 910443-10-6) is a chemical compound with molecular formula C12H13BrO5 and molecular weight 315.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(5-bromo-2-methoxyphenyl)propanedioate
Also Known As: dimethyl (5-bromo-2-methoxyphenyl)malonate, Dimethyl 2-(5-bromo-2-methoxyphenyl)malonate, dimethyl 2-(5-bromo-2-methoxyphenyl)propanedioate, dimethyl (5-bromo-2-methoxyphenyl)propanedioate
| Molecular Formula | C12H13BrO5 |
|---|---|
| Molecular Weight | 315.99 g/mol |
| LogP | 1.8873 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.99463 |
| Heavy Atoms | 18 |
| Complexity | 441.78104 |
Chemical Identifiers
| CAS Number | 910443-10-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)C(C(=O)OC)C(=O)OC |
Product Overview
Dimethyl (5-bromo-2-methoxyphenyl)malonate (CAS 910443-10-6), with molecular formula C12H13BrO5 and molecular weight 315.99 g/mol. IUPAC: dimethyl 2-(5-bromo-2-methoxyphenyl)propanedioate.
Chemical Property Profile of Dimethyl (5-bromo-2-methoxyphenyl)malonate
Property Insights of Dimethyl (5-bromo-2-methoxyphenyl)malonate
The XLogP value of 1.8873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl (5-bromo-2-methoxyphenyl)malonate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl (5-bromo-2-methoxyphenyl)malonate. Following Lipinski's Rule of Five, Dimethyl (5-bromo-2-methoxyphenyl)malonate 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 Dimethyl (5-bromo-2-methoxyphenyl)malonate?
The CAS number of Dimethyl (5-bromo-2-methoxyphenyl)malonate is 910443-10-6.
What is the molecular formula of Dimethyl (5-bromo-2-methoxyphenyl)malonate?
The molecular formula of Dimethyl (5-bromo-2-methoxyphenyl)malonate is C12H13BrO5.
What is the molecular weight of Dimethyl (5-bromo-2-methoxyphenyl)malonate?
The molecular weight of Dimethyl (5-bromo-2-methoxyphenyl)malonate is 315.99 g/mol.
Where can I buy Dimethyl (5-bromo-2-methoxyphenyl)malonate?
You can request a quote for Dimethyl (5-bromo-2-methoxyphenyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl (5-bromo-2-methoxyphenyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl (5-bromo-2-methoxyphenyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.