Ethyl 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylate
TL;DR: Ethyl 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylate (CAS 59873-25-5) is a chemical compound with molecular formula C21H20O6 and molecular weight 368.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylate
Also Known As: ethyl 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylate, ETHYL 2,4-BIS(ACETYLOXY)-9,10-DIHYDROPHENANTHRENE-3-CARBOXYLATE
| Molecular Formula | C21H20O6 |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.12598 |
| Heavy Atoms | 27 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 59873-25-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C2CCC3=CC=CC=C3C2=C1OC(=O)C)OC(=O)C |
| InChIKey | QDKWULVUQGBQNL-UHFFFAOYSA-N |
Product Overview
Ethyl 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylate (CAS 59873-25-5), with molecular formula C21H20O6 and molecular weight 368.13 g/mol. IUPAC: ethyl 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylate.
Chemical Property Profile of Ethyl 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylate
Property Insights of Ethyl 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylate
The XLogP value of 3.6 indicates that Ethyl 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylate has 0 hydrogen bond donor(s) and 6 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 Ethyl 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylate?
The CAS number of Ethyl 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylate is 59873-25-5.
What is the molecular formula of Ethyl 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylate?
The molecular formula of Ethyl 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylate is C21H20O6.
What is the molecular weight of Ethyl 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylate?
The molecular weight of Ethyl 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylate is 368.13 g/mol.
Where can I buy Ethyl 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylate?
You can request a quote for Ethyl 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,4-diacetyloxy-9,10-dihydrophenanthrene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.