4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulphonic acid
TL;DR: 4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulphonic acid (CAS 85681-99-8) is a chemical compound with molecular formula C27H32N2O7S2 and molecular weight 560.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzene-1,3-disulfonic acid
Also Known As: EINECS 288-235-7, 4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulphonic acid, 4-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzene-1,3-disulfonic acid, 4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulfonic acid, 4-[3,6-Bis(diethylamino)-9H-xanthen-9-yl]-1,3-benzenedisulfonic acid
| Molecular Formula | C27H32N2O7S2 |
|---|---|
| Molecular Weight | 560.17 g/mol |
| LogP | 5.1583 |
| Topological Polar Surface Area | 124.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 560.1651 |
| Heavy Atoms | 38 |
| Complexity | 1500.7306 |
Chemical Identifiers
| CAS Number | 85681-99-8 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)N(CC)CC)C4=C(C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O |
Product Overview
4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulphonic acid (CAS 85681-99-8), with molecular formula C27H32N2O7S2 and molecular weight 560.17 g/mol. IUPAC: 4-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzene-1,3-disulfonic acid.
Chemical Property Profile of 4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulphonic acid
Property Insights of 4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulphonic acid
The XLogP value of 5.1583 indicates that 4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulphonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulphonic acid. Following Lipinski's Rule of Five, 4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulphonic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulphonic acid?
The CAS number of 4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulphonic acid is 85681-99-8.
What is the molecular formula of 4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulphonic acid?
The molecular formula of 4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulphonic acid is C27H32N2O7S2.
What is the molecular weight of 4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulphonic acid?
The molecular weight of 4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulphonic acid is 560.17 g/mol.
Where can I buy 4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulphonic acid?
You can request a quote for 4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.