5-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxybenzoic acid
TL;DR: 5-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxybenzoic acid (CAS 690967-11-4) is a chemical compound with molecular formula C21H20O6 and molecular weight 368.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-2-methoxybenzoic acid
Also Known As: 5-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxybenzoic acid, 5-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-2-methoxy-benzoic Acid, 5-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-2-methoxybenzoic acid
| Molecular Formula | C21H20O6 |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 3.5214 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.12598 |
| Heavy Atoms | 27 |
| Complexity | 878.59955 |
Chemical Identifiers
| CAS Number | 690967-11-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)C(=O)O |
Product Overview
5-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxybenzoic acid (CAS 690967-11-4), with molecular formula C21H20O6 and molecular weight 368.13 g/mol. IUPAC: 5-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-2-methoxybenzoic acid.
Chemical Property Profile of 5-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxybenzoic acid
Property Insights of 5-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxybenzoic acid
The XLogP value of 3.5214 indicates that 5-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxybenzoic acid. Following Lipinski's Rule of Five, 5-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxybenzoic acid has 1 hydrogen bond donor(s) and 5 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 5-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxybenzoic acid?
The CAS number of 5-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxybenzoic acid is 690967-11-4.
What is the molecular formula of 5-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxybenzoic acid?
The molecular formula of 5-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxybenzoic acid is C21H20O6.
What is the molecular weight of 5-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxybenzoic acid?
The molecular weight of 5-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxybenzoic acid is 368.13 g/mol.
Where can I buy 5-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxybenzoic acid?
You can request a quote for 5-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.