4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenyl 4-tert-butylbenzoate
TL;DR: 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenyl 4-tert-butylbenzoate (CAS 836626-38-1) is a chemical compound with molecular formula C32H34O6 and molecular weight 514.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-2-ethoxyphenyl] 4-tert-butylbenzoate
Also Known As: 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenyl 4-tert-butylbenzoate, [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-2-ethoxy-phenyl] 4-tert-butylbenzoate, [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-2-ethoxyphenyl] 4-tert-butylbenzoate, 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenyl 4-(tert-butyl)benzoate
| Molecular Formula | C32H34O6 |
|---|---|
| Molecular Weight | 514.24 g/mol |
| LogP | 6.73 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 514.23553 |
| Heavy Atoms | 38 |
| Complexity | 1311.3088 |
Chemical Identifiers
| CAS Number | 836626-38-1 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OC(=O)C5=CC=C(C=C5)C(C)(C)C |
Product Overview
4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenyl 4-tert-butylbenzoate (CAS 836626-38-1), with molecular formula C32H34O6 and molecular weight 514.24 g/mol. IUPAC: [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-2-ethoxyphenyl] 4-tert-butylbenzoate.
Chemical Property Profile of 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenyl 4-tert-butylbenzoate
Property Insights of 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenyl 4-tert-butylbenzoate
The XLogP value of 6.73 indicates that 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenyl 4-tert-butylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenyl 4-tert-butylbenzoate. Following Lipinski's Rule of Five, 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenyl 4-tert-butylbenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenyl 4-tert-butylbenzoate?
The CAS number of 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenyl 4-tert-butylbenzoate is 836626-38-1.
What is the molecular formula of 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenyl 4-tert-butylbenzoate?
The molecular formula of 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenyl 4-tert-butylbenzoate is C32H34O6.
What is the molecular weight of 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenyl 4-tert-butylbenzoate?
The molecular weight of 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenyl 4-tert-butylbenzoate is 514.24 g/mol.
Where can I buy 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenyl 4-tert-butylbenzoate?
You can request a quote for 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenyl 4-tert-butylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenyl 4-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenyl 4-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.