![[4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-chlorobenzenesulfonate structure](/static/products/6906/690694-38-3.webp)
[4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-chlorobenzenesulfonate
TL;DR: [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-chlorobenzenesulfonate (CAS 690694-38-3) is a chemical compound with molecular formula C25H21ClO6S and molecular weight 484.07 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)phenyl] 4-chlorobenzenesulfonate
Also Known As: [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-chlorobenzenesulfonate|4-chlorobenzenesulfonic acid [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] ester|4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 4-chlorobenzenesulfonate|4-(1,8-DIOXO-3,4,5,6,7,9-HEXAHYDRO-2H-XANTHEN-9-YL)PHENYL 4-CHLOROBENZENESULFONATE|SMR000197442|MLS000577332|MLS001384857
| Molecular Formula | C25H21ClO6S |
|---|---|
| Molecular Weight | 484.07 g/mol |
| LogP | 5.2357 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 484.07474 |
| Heavy Atoms | 33 |
| Complexity | 1261.6708 |
Chemical Identifiers
| CAS Number | 690694-38-3 |
|---|---|
| SMILES | C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)Cl)C(=O)C1 |
Product Overview
[4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-chlorobenzenesulfonate (CAS 690694-38-3), with molecular formula C25H21ClO6S and molecular weight 484.07 g/mol. IUPAC: [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-chlorobenzenesulfonate.
Chemical Property Profile of [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-chlorobenzenesulfonate
Property Insights of [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-chlorobenzenesulfonate
The XLogP value of 5.2357 indicates that [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-chlorobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-chlorobenzenesulfonate. Following Lipinski's Rule of Five, [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-chlorobenzenesulfonate 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-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-chlorobenzenesulfonate?
The CAS number of [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-chlorobenzenesulfonate is 690694-38-3.
What is the molecular formula of [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-chlorobenzenesulfonate?
The molecular formula of [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-chlorobenzenesulfonate is C25H21ClO6S.
What is the molecular weight of [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-chlorobenzenesulfonate?
The molecular weight of [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-chlorobenzenesulfonate is 484.07 g/mol.
Where can I buy [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-chlorobenzenesulfonate?
You can request a quote for [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-chlorobenzenesulfonate 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-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-chlorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenyl] 4-chlorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.