EINECS 286-032-8
TL;DR: EINECS 286-032-8 (CAS 85186-47-6) is a chemical compound with molecular formula C34H37N2O6S+ and molecular weight 601.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzenesulfonic acid;[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium
Also Known As: Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, salt with mono-C10-14-alkylbenzenesulfonic acid (1:1), benzenesulfonic acid; [9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium
| Molecular Formula | C34H37N2O6S+ |
|---|---|
| Molecular Weight | 601.24 g/mol |
| LogP | 6.4943 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 601.23724 |
| Heavy Atoms | 43 |
| Complexity | 994.0 |
Chemical Identifiers
| CAS Number | 85186-47-6 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.C1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | JLEVJAMDQZPWHX-UHFFFAOYSA-O |
Product Overview
EINECS 286-032-8 (CAS 85186-47-6), with molecular formula C34H37N2O6S+ and molecular weight 601.24 g/mol. IUPAC: benzenesulfonic acid;[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium.
Chemical Property Profile of EINECS 286-032-8
Property Insights of EINECS 286-032-8
The XLogP value of 6.4943 indicates that EINECS 286-032-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 286-032-8. Following Lipinski's Rule of Five, EINECS 286-032-8 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 EINECS 286-032-8?
The CAS number of EINECS 286-032-8 is 85186-47-6.
What is the molecular formula of EINECS 286-032-8?
The molecular formula of EINECS 286-032-8 is C34H37N2O6S+.
What is the molecular weight of EINECS 286-032-8?
The molecular weight of EINECS 286-032-8 is 601.24 g/mol.
Where can I buy EINECS 286-032-8?
You can request a quote for EINECS 286-032-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 286-032-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 286-032-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.