Methyl (1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)(oxo)acetate
TL;DR: Methyl (1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)(oxo)acetate (CAS 7471-37-6) is a chemical compound with molecular formula C17H20O3 and molecular weight 272.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)-2-oxoacetate
Also Known As: methyl 2-(1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)-2-oxoacetate, Methyl (1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)(oxo)acetate, METHYL 2-(1,2,3,4,5,6,7,8-OCTAHYDROPHENANTHREN-2-YL)-2-OXO-ACETATE
| Molecular Formula | C17H20O3 |
|---|---|
| Molecular Weight | 272.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.14124 |
| Heavy Atoms | 20 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 7471-37-6 |
|---|---|
| SMILES | COC(=O)C(=O)C1CCC2=C(C1)C=CC3=C2CCCC3 |
| InChIKey | ANWSNLCYARHDHR-UHFFFAOYSA-N |
Product Overview
Methyl (1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)(oxo)acetate (CAS 7471-37-6), with molecular formula C17H20O3 and molecular weight 272.14 g/mol. IUPAC: methyl 2-(1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)-2-oxoacetate.
Chemical Property Profile of Methyl (1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)(oxo)acetate
Property Insights of Methyl (1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)(oxo)acetate
The XLogP value of 3.7 indicates that Methyl (1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)(oxo)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl (1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)(oxo)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)(oxo)acetate has 0 hydrogen bond donor(s) and 3 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 (1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)(oxo)acetate?
The CAS number of Methyl (1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)(oxo)acetate is 7471-37-6.
What is the molecular formula of Methyl (1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)(oxo)acetate?
The molecular formula of Methyl (1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)(oxo)acetate is C17H20O3.
What is the molecular weight of Methyl (1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)(oxo)acetate?
The molecular weight of Methyl (1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)(oxo)acetate is 272.14 g/mol.
Where can I buy Methyl (1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)(oxo)acetate?
You can request a quote for Methyl (1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)(oxo)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)(oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (1,2,3,4,5,6,7,8-octahydrophenanthren-2-yl)(oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.