Butanedioic acid, 2-bromo-3-(4-methylphenyl)-, dimethyl ester
TL;DR: Butanedioic acid, 2-bromo-3-(4-methylphenyl)-, dimethyl ester (CAS 959286-95-4) is a chemical compound with molecular formula C13H15BrO4 and molecular weight 314.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-bromo-3-(4-methylphenyl)butanedioate
Also Known As: 2-Bromo-3-p-tolyl-succinic acid dimethyl ester, dimethyl 2-bromo-3-(4-methylphenyl)butanedioate, Dimethyl 2-bromo-3-(4-methylphenyl)succinate #, Butanedioic acid, 2-bromo-3-(4-methylphenyl)-, dimethyl ester
| Molecular Formula | C13H15BrO4 |
|---|---|
| Molecular Weight | 314.02 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.01538 |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 959286-95-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C(C(=O)OC)Br)C(=O)OC |
| InChIKey | HXZXTWVVTRPMGJ-UHFFFAOYSA-N |
Product Overview
Butanedioic acid, 2-bromo-3-(4-methylphenyl)-, dimethyl ester (CAS 959286-95-4), with molecular formula C13H15BrO4 and molecular weight 314.02 g/mol. IUPAC: dimethyl 2-bromo-3-(4-methylphenyl)butanedioate.
Chemical Property Profile of Butanedioic acid, 2-bromo-3-(4-methylphenyl)-, dimethyl ester
Property Insights of Butanedioic acid, 2-bromo-3-(4-methylphenyl)-, dimethyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, 2-bromo-3-(4-methylphenyl)-, dimethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Butanedioic acid, 2-bromo-3-(4-methylphenyl)-, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanedioic acid, 2-bromo-3-(4-methylphenyl)-, dimethyl ester 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 Butanedioic acid, 2-bromo-3-(4-methylphenyl)-, dimethyl ester?
The CAS number of Butanedioic acid, 2-bromo-3-(4-methylphenyl)-, dimethyl ester is 959286-95-4.
What is the molecular formula of Butanedioic acid, 2-bromo-3-(4-methylphenyl)-, dimethyl ester?
The molecular formula of Butanedioic acid, 2-bromo-3-(4-methylphenyl)-, dimethyl ester is C13H15BrO4.
What is the molecular weight of Butanedioic acid, 2-bromo-3-(4-methylphenyl)-, dimethyl ester?
The molecular weight of Butanedioic acid, 2-bromo-3-(4-methylphenyl)-, dimethyl ester is 314.02 g/mol.
Where can I buy Butanedioic acid, 2-bromo-3-(4-methylphenyl)-, dimethyl ester?
You can request a quote for Butanedioic acid, 2-bromo-3-(4-methylphenyl)-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, 2-bromo-3-(4-methylphenyl)-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 2-bromo-3-(4-methylphenyl)-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.