Dibenzalbernsteinsaure
TL;DR: Dibenzalbernsteinsaure (CAS 19806-12-3) is a chemical compound with molecular formula C18H14O4 and molecular weight 294.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dibenzylidenebutanedioic acid
Also Known As: Dibenzalbernsteinsaure, 2,3-dibenzylidenebutanedioic acid
| Molecular Formula | C18H14O4 |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.0892 |
| Heavy Atoms | 22 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 19806-12-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C(C(=CC2=CC=CC=C2)C(=O)O)C(=O)O |
| InChIKey | YRCUGKQNIYGAON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenzalbernsteinsaure (CAS 19806-12-3), with molecular formula C18H14O4 and molecular weight 294.09 g/mol. IUPAC: 2,3-dibenzylidenebutanedioic acid.
Chemical Property Profile of Dibenzalbernsteinsaure
Property Insights of Dibenzalbernsteinsaure
The XLogP value of 3.5 indicates that Dibenzalbernsteinsaure is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzalbernsteinsaure. Following Lipinski's Rule of Five, Dibenzalbernsteinsaure has 2 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 Dibenzalbernsteinsaure?
The CAS number of Dibenzalbernsteinsaure is 19806-12-3.
What is the molecular formula of Dibenzalbernsteinsaure?
The molecular formula of Dibenzalbernsteinsaure is C18H14O4.
What is the molecular weight of Dibenzalbernsteinsaure?
The molecular weight of Dibenzalbernsteinsaure is 294.09 g/mol.
Where can I buy Dibenzalbernsteinsaure?
You can request a quote for Dibenzalbernsteinsaure directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzalbernsteinsaure?
Yes, KEHONG BIO provides custom synthesis services for Dibenzalbernsteinsaure and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.