1,2-Benzenedicarboxylic acid, 1,2-bis(2,3-dibromopropyl) ester
TL;DR: 1,2-Benzenedicarboxylic acid, 1,2-bis(2,3-dibromopropyl) ester (CAS 7415-86-3) is a chemical compound with molecular formula C14H14Br4O4 and molecular weight 561.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2,3-dibromopropyl) benzene-1,2-dicarboxylate
Also Known As: bis phthalate, Bis(2,3-dibromopropyl) phthalate, bis(2,3-dibromopropyl) benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid, 1,2-bis(2,3-dibromopropyl) ester, 1,2-Benzenedicarboxylic acid, bis(2,3-dibromopropyl) ester
| Molecular Formula | C14H14Br4O4 |
|---|---|
| Molecular Weight | 561.76 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 565.7585 |
| Heavy Atoms | 22 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 7415-86-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCC(CBr)Br)C(=O)OCC(CBr)Br |
| InChIKey | IVARTEJQLIMVJT-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedicarboxylic acid, 1,2-bis(2,3-dibromopropyl) ester (CAS 7415-86-3), with molecular formula C14H14Br4O4 and molecular weight 561.76 g/mol. IUPAC: bis(2,3-dibromopropyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 1,2-bis(2,3-dibromopropyl) ester
Property Insights of 1,2-Benzenedicarboxylic acid, 1,2-bis(2,3-dibromopropyl) ester
The XLogP value of 4.9 indicates that 1,2-Benzenedicarboxylic acid, 1,2-bis(2,3-dibromopropyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-Benzenedicarboxylic acid, 1,2-bis(2,3-dibromopropyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 1,2-bis(2,3-dibromopropyl) ester has 0 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 1,2-Benzenedicarboxylic acid, 1,2-bis(2,3-dibromopropyl) ester?
The CAS number of 1,2-Benzenedicarboxylic acid, 1,2-bis(2,3-dibromopropyl) ester is 7415-86-3.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 1,2-bis(2,3-dibromopropyl) ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, 1,2-bis(2,3-dibromopropyl) ester is C14H14Br4O4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 1,2-bis(2,3-dibromopropyl) ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, 1,2-bis(2,3-dibromopropyl) ester is 561.76 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 1,2-bis(2,3-dibromopropyl) ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, 1,2-bis(2,3-dibromopropyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarboxylic acid, 1,2-bis(2,3-dibromopropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 1,2-bis(2,3-dibromopropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.