6,7,8,8A,9,10-Hexahydro-2-methoxyphenanthrene-7,8-dicarboxylic acid
TL;DR: 6,7,8,8A,9,10-Hexahydro-2-methoxyphenanthrene-7,8-dicarboxylic acid (CAS 94753-16-9) is a chemical compound with molecular formula C17H18O5 and molecular weight 302.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-1,2,3,9,10,10a-hexahydrophenanthrene-1,2-dicarboxylic acid
Also Known As: 6,7,8,8A,9,10-HEXAHYDRO-2-METHOXYPHENANTHRENE-7,8-DICARBOXYLIC ACID, 7-methoxy-1,2,3,9,10,10a-hexahydrophenanthrene-1,2-dicarboxylic Acid, 1,2,3,9,10,10a-hexahydro-7-methoxy-1,2-phenanthrenedicarboxylic acid, 665-721-0, RefChem:538574
| Molecular Formula | C17H18O5 |
|---|---|
| Molecular Weight | 302.12 g/mol |
| LogP | 2.4463 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.11542 |
| Heavy Atoms | 22 |
| Complexity | 661.0132 |
Chemical Identifiers
| CAS Number | 94753-16-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C3=CCC(C(C3CC2)C(=O)O)C(=O)O |
Product Overview
6,7,8,8A,9,10-Hexahydro-2-methoxyphenanthrene-7,8-dicarboxylic acid (CAS 94753-16-9), with molecular formula C17H18O5 and molecular weight 302.12 g/mol. IUPAC: 7-methoxy-1,2,3,9,10,10a-hexahydrophenanthrene-1,2-dicarboxylic acid.
Chemical Property Profile of 6,7,8,8A,9,10-Hexahydro-2-methoxyphenanthrene-7,8-dicarboxylic acid
Property Insights of 6,7,8,8A,9,10-Hexahydro-2-methoxyphenanthrene-7,8-dicarboxylic acid
The XLogP value of 2.4463 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7,8,8A,9,10-Hexahydro-2-methoxyphenanthrene-7,8-dicarboxylic acid. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7,8,8A,9,10-Hexahydro-2-methoxyphenanthrene-7,8-dicarboxylic acid. Following Lipinski's Rule of Five, 6,7,8,8A,9,10-Hexahydro-2-methoxyphenanthrene-7,8-dicarboxylic acid has 2 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 6,7,8,8A,9,10-Hexahydro-2-methoxyphenanthrene-7,8-dicarboxylic acid?
The CAS number of 6,7,8,8A,9,10-Hexahydro-2-methoxyphenanthrene-7,8-dicarboxylic acid is 94753-16-9.
What is the molecular formula of 6,7,8,8A,9,10-Hexahydro-2-methoxyphenanthrene-7,8-dicarboxylic acid?
The molecular formula of 6,7,8,8A,9,10-Hexahydro-2-methoxyphenanthrene-7,8-dicarboxylic acid is C17H18O5.
What is the molecular weight of 6,7,8,8A,9,10-Hexahydro-2-methoxyphenanthrene-7,8-dicarboxylic acid?
The molecular weight of 6,7,8,8A,9,10-Hexahydro-2-methoxyphenanthrene-7,8-dicarboxylic acid is 302.12 g/mol.
Where can I buy 6,7,8,8A,9,10-Hexahydro-2-methoxyphenanthrene-7,8-dicarboxylic acid?
You can request a quote for 6,7,8,8A,9,10-Hexahydro-2-methoxyphenanthrene-7,8-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7,8,8A,9,10-Hexahydro-2-methoxyphenanthrene-7,8-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6,7,8,8A,9,10-Hexahydro-2-methoxyphenanthrene-7,8-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.