RefChem:902296
TL;DR: RefChem:902296 (CAS 26694-69-9) is a chemical compound with molecular formula C30H36N2O7S and molecular weight 568.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium;ethyl sulfate
Also Known As: Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, ethyl sulfate, 9-(2-(Ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium ethyl sulphate, [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanth, [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium; ethyl sulfate, Xanthylium, 9-(2-(ethoxycarbonyl)phenyl)-3,6-bis(ethylamino)-2,7-dimethyl-, ethyl sulfate (1:1)
| Molecular Formula | C30H36N2O7S |
|---|---|
| Molecular Weight | 568.22 g/mol |
| LogP | 3.91 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 568.2243 |
| Heavy Atoms | 40 |
| Complexity | 926.0 |
Chemical Identifiers
| CAS Number | 26694-69-9 |
|---|---|
| SMILES | CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.CCOS(=O)(=O)[O-] |
| InChIKey | IAKDKWUFEYDKDX-UHFFFAOYSA-N |
Product Overview
RefChem:902296 (CAS 26694-69-9), with molecular formula C30H36N2O7S and molecular weight 568.22 g/mol. IUPAC: [9-(2-ethoxycarbonylphenyl)-6-(ethylamino)-2,7-dimethylxanthen-3-ylidene]-ethylazanium;ethyl sulfate.
Chemical Property Profile of RefChem:902296
Property Insights of RefChem:902296
The XLogP value of 3.91 indicates that RefChem:902296 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:902296. Following Lipinski's Rule of Five, RefChem:902296 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:902296?
The CAS number of RefChem:902296 is 26694-69-9.
What is the molecular formula of RefChem:902296?
The molecular formula of RefChem:902296 is C30H36N2O7S.
What is the molecular weight of RefChem:902296?
The molecular weight of RefChem:902296 is 568.22 g/mol.
Where can I buy RefChem:902296?
You can request a quote for RefChem:902296 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:902296?
Yes, KEHONG BIO provides custom synthesis services for RefChem:902296 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.