1,2-Benzenedicarboxylic acid, decyl-, dioctyl ester
TL;DR: 1,2-Benzenedicarboxylic acid, decyl-, dioctyl ester (CAS 64201-61-2) is a chemical compound with molecular formula C34H58O4 and molecular weight 530.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dioctyl 3-decylbenzene-1,2-dicarboxylate
Also Known As: Dioctyl decyl-1,2-benzenedicarboxylate, dioctyl 3-decylbenzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid, decyl-, dioctyl ester, Decyl-1,2-benzenedicarboxylicacid dioctyl ester, 1,2-Benzenedicarboxylic acid,decyl-,dioctyl ester
| Molecular Formula | C34H58O4 |
|---|---|
| Molecular Weight | 530.43 g/mol |
| LogP | 13.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 27 |
| Exact Mass | 530.43353 |
| Heavy Atoms | 38 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 64201-61-2 |
|---|---|
| SMILES | CCCCCCCCCCC1=C(C(=CC=C1)C(=O)OCCCCCCCC)C(=O)OCCCCCCCC |
| InChIKey | JUIOJMYTXCXFAG-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedicarboxylic acid, decyl-, dioctyl ester (CAS 64201-61-2), with molecular formula C34H58O4 and molecular weight 530.43 g/mol. IUPAC: dioctyl 3-decylbenzene-1,2-dicarboxylate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, decyl-, dioctyl ester
Property Insights of 1,2-Benzenedicarboxylic acid, decyl-, dioctyl ester
The XLogP value of 13.6 indicates that 1,2-Benzenedicarboxylic acid, decyl-, dioctyl 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, decyl-, dioctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, decyl-, dioctyl 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, decyl-, dioctyl ester?
The CAS number of 1,2-Benzenedicarboxylic acid, decyl-, dioctyl ester is 64201-61-2.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, decyl-, dioctyl ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, decyl-, dioctyl ester is C34H58O4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, decyl-, dioctyl ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, decyl-, dioctyl ester is 530.43 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, decyl-, dioctyl ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, decyl-, dioctyl 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, decyl-, dioctyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, decyl-, dioctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.