1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrabromo-, 1-ethyl ester
TL;DR: 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrabromo-, 1-ethyl ester (CAS 29092-13-5) is a chemical compound with molecular formula C10H6Br4O4 and molecular weight 505.70 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5,6-tetrabromo-4-ethoxycarbonylbenzoic acid
Also Known As: Monoethyl tetrabromoterephthalate, Ethyl hydrogen tetrabromoterephthalate, 2,3,5,6-tetrabromo-4-(ethoxycarbonyl)benzoic acid, Terephthalic acid, tetrabromo-, monoethyl ester, 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrabromo-, 1-ethyl ester
| Molecular Formula | C10H6Br4O4 |
|---|---|
| Molecular Weight | 505.70 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 509.69586 |
| Heavy Atoms | 18 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 29092-13-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(C(=C1Br)Br)C(=O)O)Br)Br |
| InChIKey | OMUHVEKJVPWWEH-UHFFFAOYSA-N |
Product Overview
1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrabromo-, 1-ethyl ester (CAS 29092-13-5), with molecular formula C10H6Br4O4 and molecular weight 505.70 g/mol. IUPAC: 2,3,5,6-tetrabromo-4-ethoxycarbonylbenzoic acid.
Chemical Property Profile of 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrabromo-, 1-ethyl ester
Property Insights of 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrabromo-, 1-ethyl ester
The XLogP value of 4.4 indicates that 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrabromo-, 1-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrabromo-, 1-ethyl ester. Following Lipinski's Rule of Five, 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrabromo-, 1-ethyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrabromo-, 1-ethyl ester?
The CAS number of 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrabromo-, 1-ethyl ester is 29092-13-5.
What is the molecular formula of 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrabromo-, 1-ethyl ester?
The molecular formula of 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrabromo-, 1-ethyl ester is C10H6Br4O4.
What is the molecular weight of 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrabromo-, 1-ethyl ester?
The molecular weight of 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrabromo-, 1-ethyl ester is 505.70 g/mol.
Where can I buy 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrabromo-, 1-ethyl ester?
You can request a quote for 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrabromo-, 1-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrabromo-, 1-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrabromo-, 1-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.