1,2-Benzenedicarboxylic acid, di-2-propynyl ester
TL;DR: 1,2-Benzenedicarboxylic acid, di-2-propynyl ester (CAS 48171-42-2) is a chemical compound with molecular formula C14H10O4 and molecular weight 242.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(prop-2-ynyl) benzene-1,2-dicarboxylate
Also Known As: dipropargyl phthalate, Diprop-2-ynyl phthalate, Phthalic acid dipropargyl ester, Di(prop-2-yn-1-yl) phthalate, Phthalsaeure-di-propin-2-ylester
| Molecular Formula | C14H10O4 |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.0579 |
| Heavy Atoms | 18 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 48171-42-2 |
|---|---|
| SMILES | C#CCOC(=O)C1=CC=CC=C1C(=O)OCC#C |
| InChIKey | NQXDCRARZBUWHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzenedicarboxylic acid, di-2-propynyl ester (CAS 48171-42-2), with molecular formula C14H10O4 and molecular weight 242.06 g/mol. IUPAC: bis(prop-2-ynyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, di-2-propynyl ester
Property Insights of 1,2-Benzenedicarboxylic acid, di-2-propynyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenedicarboxylic acid, di-2-propynyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-Benzenedicarboxylic acid, di-2-propynyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, di-2-propynyl 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 1,2-Benzenedicarboxylic acid, di-2-propynyl ester?
The CAS number of 1,2-Benzenedicarboxylic acid, di-2-propynyl ester is 48171-42-2.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, di-2-propynyl ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, di-2-propynyl ester is C14H10O4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, di-2-propynyl ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, di-2-propynyl ester is 242.06 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, di-2-propynyl ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, di-2-propynyl 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, di-2-propynyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, di-2-propynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.