1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, nonyl ester
TL;DR: 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, nonyl ester (CAS 33975-30-3) is a chemical compound with molecular formula C18H22O5 and molecular weight 318.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nonyl 1,3-dioxo-2-benzofuran-5-carboxylate
Also Known As: 4-1,2-benzenedicarboxylicanhydride, 4- -1,2-benzenedicarboxylicanhydride, nonyl 1,3-dioxo-2-benzofuran-5-carboxylate, 4-(Nonyloxycarbonyl)-1,2-benzenedicarboxylic anhydride, Nonyl 1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylate
| Molecular Formula | C18H22O5 |
|---|---|
| Molecular Weight | 318.15 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 318.14673 |
| Heavy Atoms | 23 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 33975-30-3 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)C1=CC2=C(C=C1)C(=O)OC2=O |
| InChIKey | CQARFTDKXPFBIO-UHFFFAOYSA-N |
Product Overview
1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, nonyl ester (CAS 33975-30-3), with molecular formula C18H22O5 and molecular weight 318.15 g/mol. IUPAC: nonyl 1,3-dioxo-2-benzofuran-5-carboxylate.
Chemical Property Profile of 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, nonyl ester
Property Insights of 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, nonyl ester
The XLogP value of 5.1 indicates that 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, nonyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, nonyl ester. Following Lipinski's Rule of Five, 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, nonyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, nonyl ester?
The CAS number of 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, nonyl ester is 33975-30-3.
What is the molecular formula of 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, nonyl ester?
The molecular formula of 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, nonyl ester is C18H22O5.
What is the molecular weight of 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, nonyl ester?
The molecular weight of 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, nonyl ester is 318.15 g/mol.
Where can I buy 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, nonyl ester?
You can request a quote for 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, nonyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, nonyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Benzenetricarboxylic acid, cyclic 1,2-anhydride, nonyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.