Dimethyl 2-(4-bromobenzyl)malonate
TL;DR: Dimethyl 2-(4-bromobenzyl)malonate (CAS 157134-36-6) is a chemical compound with molecular formula C12H13BrO4 and molecular weight 300.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(4-bromophenyl)methyl]propanedioate
Also Known As: Dimethyl 2-(4-bromobenzyl)malonate, Dimethyl (4-bromobenzyl)malonate, dimethyl 2-[(4-bromophenyl)methyl]propanedioate, 1,3-dimethyl 2-[(4-bromophenyl)methyl]propanedioate
| Molecular Formula | C12H13BrO4 |
|---|---|
| Molecular Weight | 300.00 g/mol |
| LogP | 1.9538 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.99973 |
| Heavy Atoms | 17 |
| Complexity | 383.4716 |
Chemical Identifiers
| CAS Number | 157134-36-6 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=C(C=C1)Br)C(=O)OC |
Product Overview
Dimethyl 2-(4-bromobenzyl)malonate (CAS 157134-36-6), with molecular formula C12H13BrO4 and molecular weight 300.00 g/mol. IUPAC: dimethyl 2-[(4-bromophenyl)methyl]propanedioate.
Chemical Property Profile of Dimethyl 2-(4-bromobenzyl)malonate
Property Insights of Dimethyl 2-(4-bromobenzyl)malonate
The XLogP value of 1.9538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(4-bromobenzyl)malonate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2-(4-bromobenzyl)malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-(4-bromobenzyl)malonate 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 Dimethyl 2-(4-bromobenzyl)malonate?
The CAS number of Dimethyl 2-(4-bromobenzyl)malonate is 157134-36-6.
What is the molecular formula of Dimethyl 2-(4-bromobenzyl)malonate?
The molecular formula of Dimethyl 2-(4-bromobenzyl)malonate is C12H13BrO4.
What is the molecular weight of Dimethyl 2-(4-bromobenzyl)malonate?
The molecular weight of Dimethyl 2-(4-bromobenzyl)malonate is 300.00 g/mol.
Where can I buy Dimethyl 2-(4-bromobenzyl)malonate?
You can request a quote for Dimethyl 2-(4-bromobenzyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(4-bromobenzyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(4-bromobenzyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.