1,2-Benzenedicarboxylic acid, mixed heptyl and isooctyl and nonyl and undecyl diesters
TL;DR: 1,2-Benzenedicarboxylic acid, mixed heptyl and isooctyl and nonyl and undecyl diesters (CAS 70955-54-3) is a chemical compound with molecular formula C43H76O12 and molecular weight 784.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptanoic acid;6-methylheptanoic acid;nonanoic acid;phthalic acid;undecanoic acid
Also Known As: 1,2-Benzenedicarboxylic acid, mixed heptyl and isooctyl and nonyl and undecyl diesters, heptanoic acid; 6-methylheptanoic acid; nonanoic acid; phthalic acid; undecanoic acid
| Molecular Formula | C43H76O12 |
|---|---|
| Molecular Weight | 784.53 g/mol |
| LogP | 11.84 |
| Topological Polar Surface Area | 224.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 28 |
| Exact Mass | 784.5337 |
| Heavy Atoms | 55 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 70955-54-3 |
|---|---|
| SMILES | CCCCCCCCCCC(=O)O.CCCCCCCCC(=O)O.CCCCCCC(=O)O.CC(C)CCCCC(=O)O.C1=CC=C(C(=C1)C(=O)O)C(=O)O |
| InChIKey | USXGMQPLLYCQQP-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedicarboxylic acid, mixed heptyl and isooctyl and nonyl and undecyl diesters (CAS 70955-54-3), with molecular formula C43H76O12 and molecular weight 784.53 g/mol. IUPAC: heptanoic acid;6-methylheptanoic acid;nonanoic acid;phthalic acid;undecanoic acid.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, mixed heptyl and isooctyl and nonyl and undecyl diesters
Property Insights of 1,2-Benzenedicarboxylic acid, mixed heptyl and isooctyl and nonyl and undecyl diesters
The XLogP value of 11.84 indicates that 1,2-Benzenedicarboxylic acid, mixed heptyl and isooctyl and nonyl and undecyl diesters is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 224.0 Ų indicates high polarity, suggesting 1,2-Benzenedicarboxylic acid, mixed heptyl and isooctyl and nonyl and undecyl diesters may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, mixed heptyl and isooctyl and nonyl and undecyl diesters has 6 hydrogen bond donor(s) and 12 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, mixed heptyl and isooctyl and nonyl and undecyl diesters?
The CAS number of 1,2-Benzenedicarboxylic acid, mixed heptyl and isooctyl and nonyl and undecyl diesters is 70955-54-3.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, mixed heptyl and isooctyl and nonyl and undecyl diesters?
The molecular formula of 1,2-Benzenedicarboxylic acid, mixed heptyl and isooctyl and nonyl and undecyl diesters is C43H76O12.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, mixed heptyl and isooctyl and nonyl and undecyl diesters?
The molecular weight of 1,2-Benzenedicarboxylic acid, mixed heptyl and isooctyl and nonyl and undecyl diesters is 784.53 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, mixed heptyl and isooctyl and nonyl and undecyl diesters?
You can request a quote for 1,2-Benzenedicarboxylic acid, mixed heptyl and isooctyl and nonyl and undecyl diesters 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, mixed heptyl and isooctyl and nonyl and undecyl diesters?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, mixed heptyl and isooctyl and nonyl and undecyl diesters and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.