1,3-Diethyl 2-(pyren-1-ylmethylidene)propanedioate
TL;DR: 1,3-Diethyl 2-(pyren-1-ylmethylidene)propanedioate (CAS 127856-68-2) is a chemical compound with molecular formula C24H20O4 and molecular weight 372.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(pyren-1-ylmethylidene)propanedioate
Also Known As: 1,3-Diethyl 2-(pyren-1-ylmethylidene)propanedioate, Diethyl 2-(pyren-1-ylmethylidene)propanedioate, Diethyl 2-(pyren-1-ylmethylene)malonate, diethyl 2-(pyren-1-ylmethylene)propanedioate
| Molecular Formula | C24H20O4 |
|---|---|
| Molecular Weight | 372.14 g/mol |
| LogP | 5.0936 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.13617 |
| Heavy Atoms | 28 |
| Complexity | 1183.8328 |
Chemical Identifiers
| CAS Number | 127856-68-2 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)OCC |
Product Overview
1,3-Diethyl 2-(pyren-1-ylmethylidene)propanedioate (CAS 127856-68-2), with molecular formula C24H20O4 and molecular weight 372.14 g/mol. IUPAC: diethyl 2-(pyren-1-ylmethylidene)propanedioate.
Chemical Property Profile of 1,3-Diethyl 2-(pyren-1-ylmethylidene)propanedioate
Property Insights of 1,3-Diethyl 2-(pyren-1-ylmethylidene)propanedioate
The XLogP value of 5.0936 indicates that 1,3-Diethyl 2-(pyren-1-ylmethylidene)propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Diethyl 2-(pyren-1-ylmethylidene)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diethyl 2-(pyren-1-ylmethylidene)propanedioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Diethyl 2-(pyren-1-ylmethylidene)propanedioate?
The CAS number of 1,3-Diethyl 2-(pyren-1-ylmethylidene)propanedioate is 127856-68-2.
What is the molecular formula of 1,3-Diethyl 2-(pyren-1-ylmethylidene)propanedioate?
The molecular formula of 1,3-Diethyl 2-(pyren-1-ylmethylidene)propanedioate is C24H20O4.
What is the molecular weight of 1,3-Diethyl 2-(pyren-1-ylmethylidene)propanedioate?
The molecular weight of 1,3-Diethyl 2-(pyren-1-ylmethylidene)propanedioate is 372.14 g/mol.
Where can I buy 1,3-Diethyl 2-(pyren-1-ylmethylidene)propanedioate?
You can request a quote for 1,3-Diethyl 2-(pyren-1-ylmethylidene)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl 2-(pyren-1-ylmethylidene)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-(pyren-1-ylmethylidene)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.