Dimethyl 2,2'-phenanthrene-9,10-diyldiacetate
TL;DR: Dimethyl 2,2'-phenanthrene-9,10-diyldiacetate (CAS 66211-92-5) is a chemical compound with molecular formula C20H18O4 and molecular weight 322.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[10-(2-methoxy-2-oxoethyl)phenanthren-9-yl]acetate
Also Known As: dimethyl 2,2'-phenanthrene-9,10-diyldiacetate, Dimethyl 2,2'-(phenanthrene-9,10-diyl)diacetate, methyl 2-[10-(2-methoxy-2-oxoethyl)phenanthren-9-yl]acetate, 9,10-Phenanthrenediaceticacid, 9,10-dimethyl ester
| Molecular Formula | C20H18O4 |
|---|---|
| Molecular Weight | 322.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.1205 |
| Heavy Atoms | 24 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 66211-92-5 |
|---|---|
| SMILES | COC(=O)CC1=C(C2=CC=CC=C2C3=CC=CC=C31)CC(=O)OC |
| InChIKey | VIXIRBMGWCLIRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2,2'-phenanthrene-9,10-diyldiacetate (CAS 66211-92-5), with molecular formula C20H18O4 and molecular weight 322.12 g/mol. IUPAC: methyl 2-[10-(2-methoxy-2-oxoethyl)phenanthren-9-yl]acetate.
Chemical Property Profile of Dimethyl 2,2'-phenanthrene-9,10-diyldiacetate
Property Insights of Dimethyl 2,2'-phenanthrene-9,10-diyldiacetate
The XLogP value of 4.0 indicates that Dimethyl 2,2'-phenanthrene-9,10-diyldiacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2,2'-phenanthrene-9,10-diyldiacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2,2'-phenanthrene-9,10-diyldiacetate 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 Dimethyl 2,2'-phenanthrene-9,10-diyldiacetate?
The CAS number of Dimethyl 2,2'-phenanthrene-9,10-diyldiacetate is 66211-92-5.
What is the molecular formula of Dimethyl 2,2'-phenanthrene-9,10-diyldiacetate?
The molecular formula of Dimethyl 2,2'-phenanthrene-9,10-diyldiacetate is C20H18O4.
What is the molecular weight of Dimethyl 2,2'-phenanthrene-9,10-diyldiacetate?
The molecular weight of Dimethyl 2,2'-phenanthrene-9,10-diyldiacetate is 322.12 g/mol.
Where can I buy Dimethyl 2,2'-phenanthrene-9,10-diyldiacetate?
You can request a quote for Dimethyl 2,2'-phenanthrene-9,10-diyldiacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2,2'-phenanthrene-9,10-diyldiacetate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,2'-phenanthrene-9,10-diyldiacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.