Diethyl 2-(9H-fluoren-9-yl)malonate
TL;DR: Diethyl 2-(9H-fluoren-9-yl)malonate (CAS 77617-75-5) is a chemical compound with molecular formula C20H20O4 and molecular weight 324.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(9H-fluoren-9-yl)propanedioate
Also Known As: Diethyl 2-(9H-fluoren-9-yl)malonate, NCIOpen2_009214, diethyl 2-(9H-fluoren-9-yl)propanedioate, Diethyl (9H-fluoren-9-yl)propanedioate, DIETHYL 2-(9-FLUORENYL)MALONATE
| Molecular Formula | C20H20O4 |
|---|---|
| Molecular Weight | 324.14 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 324.13617 |
| Heavy Atoms | 24 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 77617-75-5 |
|---|---|
| SMILES | CCOC(=O)C(C1C2=CC=CC=C2C3=CC=CC=C13)C(=O)OCC |
| InChIKey | ZXUJOWGOAYXFAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-(9H-fluoren-9-yl)malonate (CAS 77617-75-5), with molecular formula C20H20O4 and molecular weight 324.14 g/mol. IUPAC: diethyl 2-(9H-fluoren-9-yl)propanedioate.
Chemical Property Profile of Diethyl 2-(9H-fluoren-9-yl)malonate
Property Insights of Diethyl 2-(9H-fluoren-9-yl)malonate
The XLogP value of 4.0 indicates that Diethyl 2-(9H-fluoren-9-yl)malonate 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 2-(9H-fluoren-9-yl)malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-(9H-fluoren-9-yl)malonate 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 2-(9H-fluoren-9-yl)malonate?
The CAS number of Diethyl 2-(9H-fluoren-9-yl)malonate is 77617-75-5.
What is the molecular formula of Diethyl 2-(9H-fluoren-9-yl)malonate?
The molecular formula of Diethyl 2-(9H-fluoren-9-yl)malonate is C20H20O4.
What is the molecular weight of Diethyl 2-(9H-fluoren-9-yl)malonate?
The molecular weight of Diethyl 2-(9H-fluoren-9-yl)malonate is 324.14 g/mol.
Where can I buy Diethyl 2-(9H-fluoren-9-yl)malonate?
You can request a quote for Diethyl 2-(9H-fluoren-9-yl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(9H-fluoren-9-yl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(9H-fluoren-9-yl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.