Isophthalic acid, dicyclopentyl ester
TL;DR: Isophthalic acid, dicyclopentyl ester (CAS 18699-41-7) is a chemical compound with molecular formula C18H22O4 and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dicyclopentyl benzene-1,3-dicarboxylate
Also Known As: Dicyclopentyl isophthalate, dicyclopentyl benzene-1,3-dicarboxylate, ISOPHTHALIC ACID, DICYCLOPENTYL ESTER, Isophthalic acid dicyclopentyl ester, 1,3-Benzenedicarboxylic acid, dicyclopentyl ester
| Molecular Formula | C18H22O4 |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.1518 |
| Heavy Atoms | 22 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 18699-41-7 |
|---|---|
| SMILES | C1CCC(C1)OC(=O)C2=CC(=CC=C2)C(=O)OC3CCCC3 |
| InChIKey | RWOGJKIDZVOJFG-UHFFFAOYSA-N |
Product Overview
Isophthalic acid, dicyclopentyl ester (CAS 18699-41-7), with molecular formula C18H22O4 and molecular weight 302.15 g/mol. IUPAC: dicyclopentyl benzene-1,3-dicarboxylate.
Chemical Property Profile of Isophthalic acid, dicyclopentyl ester
Property Insights of Isophthalic acid, dicyclopentyl ester
The XLogP value of 4.2 indicates that Isophthalic acid, dicyclopentyl 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, Isophthalic acid, dicyclopentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isophthalic acid, dicyclopentyl ester has 0 hydrogen bond donor(s) and 4 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 Isophthalic acid, dicyclopentyl ester?
The CAS number of Isophthalic acid, dicyclopentyl ester is 18699-41-7.
What is the molecular formula of Isophthalic acid, dicyclopentyl ester?
The molecular formula of Isophthalic acid, dicyclopentyl ester is C18H22O4.
What is the molecular weight of Isophthalic acid, dicyclopentyl ester?
The molecular weight of Isophthalic acid, dicyclopentyl ester is 302.15 g/mol.
Where can I buy Isophthalic acid, dicyclopentyl ester?
You can request a quote for Isophthalic acid, dicyclopentyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isophthalic acid, dicyclopentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Isophthalic acid, dicyclopentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.