Propanedioic acid, diphenyl ester
TL;DR: Propanedioic acid, diphenyl ester (CAS 1969-44-4) is a chemical compound with molecular formula C15H12O4 and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diphenyl propanedioate
Also Known As: diphenyl malonate, Diphenyl Propanedioate, Diphenylmalonate, Propanedioic acid, diphenyl ester, MALONIC ACID DIPHENYL ESTER
| Molecular Formula | C15H12O4 |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 2.5877 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.07355 |
| Heavy Atoms | 19 |
| Complexity | 497.37296 |
Chemical Identifiers
| CAS Number | 1969-44-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)CC(=O)OC2=CC=CC=C2 |
Product Overview
Propanedioic acid, diphenyl ester (CAS 1969-44-4), with molecular formula C15H12O4 and molecular weight 256.07 g/mol. IUPAC: diphenyl propanedioate.
Chemical Property Profile of Propanedioic acid, diphenyl ester
Property Insights of Propanedioic acid, diphenyl ester
The XLogP value of 2.5877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedioic acid, diphenyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Propanedioic acid, diphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedioic acid, diphenyl 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 Propanedioic acid, diphenyl ester?
The CAS number of Propanedioic acid, diphenyl ester is 1969-44-4.
What is the molecular formula of Propanedioic acid, diphenyl ester?
The molecular formula of Propanedioic acid, diphenyl ester is C15H12O4.
What is the molecular weight of Propanedioic acid, diphenyl ester?
The molecular weight of Propanedioic acid, diphenyl ester is 256.07 g/mol.
Where can I buy Propanedioic acid, diphenyl ester?
You can request a quote for Propanedioic acid, diphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, diphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, diphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.