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Methyl phenanthro[2,3-d][1,3]dioxole-5-carboxylate
TL;DR: Methyl phenanthro[2,3-d][1,3]dioxole-5-carboxylate (CAS 38559-75-0) is a chemical compound with molecular formula C17H12O4 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl naphtho[2,1-f][1,3]benzodioxole-5-carboxylate
Also Known As: NCIOpen2_005454, methyl phenanthro[2,3-d][1,3]dioxole-5-carboxylate, methyl naphtho[2,1-f][1,3]benzodioxole-5-carboxylate, 2-(2,4,6-Cycloheptatrien-1-yl)-naphthalin, Methyl 9H-phenanthro[2,3-d][1,3]dioxole-5-carboxylate
| Molecular Formula | C17H12O4 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.07355 |
| Heavy Atoms | 21 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 38559-75-0 |
|---|---|
| SMILES | COC(=O)C1=CC2=CC3=C(C=C2C4=CC=CC=C41)OCO3 |
| InChIKey | ZKIIVJXMUUGCAL-UHFFFAOYSA-N |
Product Overview
Methyl phenanthro[2,3-d][1,3]dioxole-5-carboxylate (CAS 38559-75-0), with molecular formula C17H12O4 and molecular weight 280.07 g/mol. IUPAC: methyl naphtho[2,1-f][1,3]benzodioxole-5-carboxylate.
Chemical Property Profile of Methyl phenanthro[2,3-d][1,3]dioxole-5-carboxylate
Property Insights of Methyl phenanthro[2,3-d][1,3]dioxole-5-carboxylate
The XLogP value of 4.1 indicates that Methyl phenanthro[2,3-d][1,3]dioxole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Methyl phenanthro[2,3-d][1,3]dioxole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl phenanthro[2,3-d][1,3]dioxole-5-carboxylate 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 Methyl phenanthro[2,3-d][1,3]dioxole-5-carboxylate?
The CAS number of Methyl phenanthro[2,3-d][1,3]dioxole-5-carboxylate is 38559-75-0.
What is the molecular formula of Methyl phenanthro[2,3-d][1,3]dioxole-5-carboxylate?
The molecular formula of Methyl phenanthro[2,3-d][1,3]dioxole-5-carboxylate is C17H12O4.
What is the molecular weight of Methyl phenanthro[2,3-d][1,3]dioxole-5-carboxylate?
The molecular weight of Methyl phenanthro[2,3-d][1,3]dioxole-5-carboxylate is 280.07 g/mol.
Where can I buy Methyl phenanthro[2,3-d][1,3]dioxole-5-carboxylate?
You can request a quote for Methyl phenanthro[2,3-d][1,3]dioxole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl phenanthro[2,3-d][1,3]dioxole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl phenanthro[2,3-d][1,3]dioxole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.