1,2,4-苯三甲酸异辛酯
TL;DR: 1,2,4-苯三甲酸异辛酯 (CAS 68186-32-3) is a chemical compound with molecular formula C17H24O7 and molecular weight 340.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-苯三甲酸异辛酯
benzene-1,2,4-tricarboxylic acid;6-methylheptan-1-ol
Also Known As: Isooctyl trimellitate, Trimellitic anhydride, isooctyl alcohol ester, 1,2,4-Benzenetricarboxylic acid, isooctyl ester, 1,2,4-BENZENETRICARBOXYLIC ACID ISOOCTYL ESTER, benzene-1,2,4-tricarboxylic acid- 6-methylheptan-1-ol(1:1)
| Molecular Formula | C17H24O7 |
|---|---|
| Molecular Weight | 340.15 g/mol |
| LogP | 2.98 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 340.1522 |
| Heavy Atoms | 24 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 68186-32-3 |
|---|---|
| SMILES | CC(C)CCCCCO.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O |
| InChIKey | DAQNBKRYDLKJMJ-UHFFFAOYSA-N |
Product Overview
1,2,4-苯三甲酸异辛酯 (CAS 68186-32-3), with molecular formula C17H24O7 and molecular weight 340.15 g/mol. IUPAC: benzene-1,2,4-tricarboxylic acid;6-methylheptan-1-ol.
Chemical Property Profile of 1,2,4-苯三甲酸异辛酯
Property Insights of 1,2,4-苯三甲酸异辛酯
The XLogP value of 2.98 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-苯三甲酸异辛酯. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-苯三甲酸异辛酯. Following Lipinski's Rule of Five, 1,2,4-苯三甲酸异辛酯 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,4-苯三甲酸异辛酯?
The CAS number of 1,2,4-苯三甲酸异辛酯 is 68186-32-3.
What is the molecular formula of 1,2,4-苯三甲酸异辛酯?
The molecular formula of 1,2,4-苯三甲酸异辛酯 is C17H24O7.
What is the molecular weight of 1,2,4-苯三甲酸异辛酯?
The molecular weight of 1,2,4-苯三甲酸异辛酯 is 340.15 g/mol.
Where can I buy 1,2,4-苯三甲酸异辛酯?
You can request a quote for 1,2,4-苯三甲酸异辛酯 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-苯三甲酸异辛酯?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-苯三甲酸异辛酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.