Bis(propargyl)terephthalate
TL;DR: Bis(propargyl)terephthalate (CAS 4631-69-0) 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-1,4-dicarboxylate
Also Known As: bis(propargyl)terephthalate, Di-2-propyn-1-yl terephthalate, Di(prop-2-yn-1-yl) terephthalate, Terephthalic acid dipropargyl ester, bis(prop-2-ynyl) benzene-1,4-dicarboxylate
| Molecular Formula | C14H10O4 |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | 1.9 |
| 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 | 358.0 |
Chemical Identifiers
| CAS Number | 4631-69-0 |
|---|---|
| SMILES | C#CCOC(=O)C1=CC=C(C=C1)C(=O)OCC#C |
| InChIKey | HZTNYDWTDTYXQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(propargyl)terephthalate (CAS 4631-69-0), with molecular formula C14H10O4 and molecular weight 242.06 g/mol. IUPAC: bis(prop-2-ynyl) benzene-1,4-dicarboxylate.
Chemical Property Profile of Bis(propargyl)terephthalate
Property Insights of Bis(propargyl)terephthalate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(propargyl)terephthalate. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(propargyl)terephthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(propargyl)terephthalate 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 Bis(propargyl)terephthalate?
The CAS number of Bis(propargyl)terephthalate is 4631-69-0.
What is the molecular formula of Bis(propargyl)terephthalate?
The molecular formula of Bis(propargyl)terephthalate is C14H10O4.
What is the molecular weight of Bis(propargyl)terephthalate?
The molecular weight of Bis(propargyl)terephthalate is 242.06 g/mol.
Where can I buy Bis(propargyl)terephthalate?
You can request a quote for Bis(propargyl)terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(propargyl)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Bis(propargyl)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.