1,3-Benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester
TL;DR: 1,3-Benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester (CAS 51760-21-5) is a chemical compound with molecular formula C10H9BrO4 and molecular weight 271.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-bromobenzene-1,3-dicarboxylate
Also Known As: Dimethyl 5-bromoisophthalate, Dimethyl5-bromoisophthalate, 5-bromoisophthalic acid dimethyl ester, Dimethyl 5-bromobenzene-1,3-dicarboxylate, Dimethyl-5-bromoisophthalate
| Molecular Formula | C10H9BrO4 |
|---|---|
| Molecular Weight | 271.97 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.9684 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 51760-21-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)Br)C(=O)OC |
| InChIKey | QUJINGKSNJNXEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester (CAS 51760-21-5), with molecular formula C10H9BrO4 and molecular weight 271.97 g/mol. IUPAC: dimethyl 5-bromobenzene-1,3-dicarboxylate.
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester
Property Insights of 1,3-Benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenedicarboxylic acid, 5-bromo-, 1,3-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 1,3-Benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester?
The CAS number of 1,3-Benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester is 51760-21-5.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester?
The molecular formula of 1,3-Benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester is C10H9BrO4.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester?
The molecular weight of 1,3-Benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester is 271.97 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester?
You can request a quote for 1,3-Benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarboxylic acid, 5-bromo-, 1,3-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.