1,2-Benzenedicarboxylic acid, 1-decyl 2-dodecyl ester
TL;DR: 1,2-Benzenedicarboxylic acid, 1-decyl 2-dodecyl ester (CAS 94054-35-0) is a chemical compound with molecular formula C30H50O4 and molecular weight 474.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-decyl 2-O-dodecyl benzene-1,2-dicarboxylate
Also Known As: Phthalic acid, decyl dodecyl ester, 1,2-Benzenedicarboxylic acid, decyl dodecyl ester, Decyl dodecyl benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid, 1-decyl 2-dodecyl ester, 1-O-decyl 2-O-dodecyl benzene-1,2-dicarboxylate
| Molecular Formula | C30H50O4 |
|---|---|
| Molecular Weight | 474.37 g/mol |
| LogP | 9.0618 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 22 |
| Exact Mass | 474.3709 |
| Heavy Atoms | 34 |
| Complexity | 640.44745 |
Chemical Identifiers
| CAS Number | 94054-35-0 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCC |
Product Overview
1,2-Benzenedicarboxylic acid, 1-decyl 2-dodecyl ester (CAS 94054-35-0), with molecular formula C30H50O4 and molecular weight 474.37 g/mol. IUPAC: 1-O-decyl 2-O-dodecyl benzene-1,2-dicarboxylate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 1-decyl 2-dodecyl ester
Property Insights of 1,2-Benzenedicarboxylic acid, 1-decyl 2-dodecyl ester
The XLogP value of 9.0618 indicates that 1,2-Benzenedicarboxylic acid, 1-decyl 2-dodecyl 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-decyl 2-dodecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 1-decyl 2-dodecyl 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-decyl 2-dodecyl ester?
The CAS number of 1,2-Benzenedicarboxylic acid, 1-decyl 2-dodecyl ester is 94054-35-0.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 1-decyl 2-dodecyl ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, 1-decyl 2-dodecyl ester is C30H50O4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 1-decyl 2-dodecyl ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, 1-decyl 2-dodecyl ester is 474.37 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 1-decyl 2-dodecyl ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, 1-decyl 2-dodecyl 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-decyl 2-dodecyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 1-decyl 2-dodecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.