Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate)
TL;DR: Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate) (CAS 60521-72-4) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[3-(3-ethoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate
Also Known As: Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate), m-phenylenedi-propiolic acid diethyl ester, NCI60_002305, ethyl 3-[3-(3-ethoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate, Diethyl 3,3'-(1,3-phenylene)dipropiolate
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 60521-72-4 |
|---|---|
| SMILES | CCOC(=O)C#CC1=CC(=CC=C1)C#CC(=O)OCC |
| InChIKey | RZFLPKWJWSIJBL-UHFFFAOYSA-N |
Product Overview
Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate) (CAS 60521-72-4), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: ethyl 3-[3-(3-ethoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate.
Chemical Property Profile of Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate)
Property Insights of Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate)
The XLogP value of 3.5 indicates that Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate) 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 Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate)?
The CAS number of Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate) is 60521-72-4.
What is the molecular formula of Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate)?
The molecular formula of Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate) is C16H14O4.
What is the molecular weight of Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate)?
The molecular weight of Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate) is 270.09 g/mol.
Where can I buy Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate)?
You can request a quote for Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate)?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.