7-Methoxy-3-oxo-1,2,3,9,10,10a-hexahydrophenanthrene-9-carboxylic acid
TL;DR: 7-Methoxy-3-oxo-1,2,3,9,10,10a-hexahydrophenanthrene-9-carboxylic acid (CAS 7151-22-6) is a chemical compound with molecular formula C16H16O4 and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-3-oxo-2,9,10,10a-tetrahydro-1H-phenanthrene-9-carboxylic acid
Also Known As: 7-methoxy-3-oxo-1,2,3,9,10,10a-hexahydrophenanthrene-9-carboxylic acid, 7-methoxy-3-oxo-2,9,10,10a-tetrahydro-1H-phenanthrene-9-carboxylic acid, 7-methoxy-3-oxo-2,9,10,10a-tetrahydro-1H-phenanthrene-9-carb, 7-Methoxy-3-oxo-1,2,3,9,10,10a-hexahydro-phenanthren-9-carbonsaeure
| Molecular Formula | C16H16O4 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.10486 |
| Heavy Atoms | 20 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 7151-22-6 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C3=CC(=O)CCC3CC2C(=O)O |
| InChIKey | GTJWJNAJBVXGOW-UHFFFAOYSA-N |
Product Overview
7-Methoxy-3-oxo-1,2,3,9,10,10a-hexahydrophenanthrene-9-carboxylic acid (CAS 7151-22-6), with molecular formula C16H16O4 and molecular weight 272.10 g/mol. IUPAC: 7-methoxy-3-oxo-2,9,10,10a-tetrahydro-1H-phenanthrene-9-carboxylic acid.
Chemical Property Profile of 7-Methoxy-3-oxo-1,2,3,9,10,10a-hexahydrophenanthrene-9-carboxylic acid
Property Insights of 7-Methoxy-3-oxo-1,2,3,9,10,10a-hexahydrophenanthrene-9-carboxylic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methoxy-3-oxo-1,2,3,9,10,10a-hexahydrophenanthrene-9-carboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Methoxy-3-oxo-1,2,3,9,10,10a-hexahydrophenanthrene-9-carboxylic acid. Following Lipinski's Rule of Five, 7-Methoxy-3-oxo-1,2,3,9,10,10a-hexahydrophenanthrene-9-carboxylic acid has 1 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 7-Methoxy-3-oxo-1,2,3,9,10,10a-hexahydrophenanthrene-9-carboxylic acid?
The CAS number of 7-Methoxy-3-oxo-1,2,3,9,10,10a-hexahydrophenanthrene-9-carboxylic acid is 7151-22-6.
What is the molecular formula of 7-Methoxy-3-oxo-1,2,3,9,10,10a-hexahydrophenanthrene-9-carboxylic acid?
The molecular formula of 7-Methoxy-3-oxo-1,2,3,9,10,10a-hexahydrophenanthrene-9-carboxylic acid is C16H16O4.
What is the molecular weight of 7-Methoxy-3-oxo-1,2,3,9,10,10a-hexahydrophenanthrene-9-carboxylic acid?
The molecular weight of 7-Methoxy-3-oxo-1,2,3,9,10,10a-hexahydrophenanthrene-9-carboxylic acid is 272.10 g/mol.
Where can I buy 7-Methoxy-3-oxo-1,2,3,9,10,10a-hexahydrophenanthrene-9-carboxylic acid?
You can request a quote for 7-Methoxy-3-oxo-1,2,3,9,10,10a-hexahydrophenanthrene-9-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methoxy-3-oxo-1,2,3,9,10,10a-hexahydrophenanthrene-9-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-Methoxy-3-oxo-1,2,3,9,10,10a-hexahydrophenanthrene-9-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.