Methyl 3-methyl-4-oxo-1,2-dihydrophenanthrene-3-carboxylate
TL;DR: Methyl 3-methyl-4-oxo-1,2-dihydrophenanthrene-3-carboxylate (CAS 6331-74-4) is a chemical compound with molecular formula C17H16O3 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyl-4-oxo-1,2-dihydrophenanthrene-3-carboxylate
Also Known As: methyl 3-methyl-4-oxo-1,2,3,4-tetrahydrophenanthrene-3-carboxylate, methyl 3-methyl-4-oxo-1,2-dihydrophenanthrene-3-carboxylate
| Molecular Formula | C17H16O3 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.10995 |
| Heavy Atoms | 20 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 6331-74-4 |
|---|---|
| SMILES | CC1(CCC2=C(C1=O)C3=CC=CC=C3C=C2)C(=O)OC |
| InChIKey | AUXFYTYVWGBTHI-UHFFFAOYSA-N |
Product Overview
Methyl 3-methyl-4-oxo-1,2-dihydrophenanthrene-3-carboxylate (CAS 6331-74-4), with molecular formula C17H16O3 and molecular weight 268.11 g/mol. IUPAC: methyl 3-methyl-4-oxo-1,2-dihydrophenanthrene-3-carboxylate.
Chemical Property Profile of Methyl 3-methyl-4-oxo-1,2-dihydrophenanthrene-3-carboxylate
Property Insights of Methyl 3-methyl-4-oxo-1,2-dihydrophenanthrene-3-carboxylate
The XLogP value of 3.8 indicates that Methyl 3-methyl-4-oxo-1,2-dihydrophenanthrene-3-carboxylate 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 3-methyl-4-oxo-1,2-dihydrophenanthrene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-methyl-4-oxo-1,2-dihydrophenanthrene-3-carboxylate 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 3-methyl-4-oxo-1,2-dihydrophenanthrene-3-carboxylate?
The CAS number of Methyl 3-methyl-4-oxo-1,2-dihydrophenanthrene-3-carboxylate is 6331-74-4.
What is the molecular formula of Methyl 3-methyl-4-oxo-1,2-dihydrophenanthrene-3-carboxylate?
The molecular formula of Methyl 3-methyl-4-oxo-1,2-dihydrophenanthrene-3-carboxylate is C17H16O3.
What is the molecular weight of Methyl 3-methyl-4-oxo-1,2-dihydrophenanthrene-3-carboxylate?
The molecular weight of Methyl 3-methyl-4-oxo-1,2-dihydrophenanthrene-3-carboxylate is 268.11 g/mol.
Where can I buy Methyl 3-methyl-4-oxo-1,2-dihydrophenanthrene-3-carboxylate?
You can request a quote for Methyl 3-methyl-4-oxo-1,2-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 Methyl 3-methyl-4-oxo-1,2-dihydrophenanthrene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methyl-4-oxo-1,2-dihydrophenanthrene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.