RefChem:228820
TL;DR: RefChem:228820 (CAS 37771-04-3) is a chemical compound with molecular formula C29H42Cl2N2O2S and molecular weight 552.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[7-[4-(diethylazaniumyl)butanoyl]-9H-thioxanthen-2-yl]-4-oxobutyl]-diethylazanium dichloride
Also Known As: 1-Butanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(4-(diethylamino)-, dihydrochloride, 1,1'-(9H-Thioxanthene-2,7-diyl)bis(4-(diethylamino))-1-butanone dihydrochloride, [4-[7-[4-(diethylazaniumyl)butanoyl]-9H-thioxanthen-2-yl]-4-oxobutyl]-diethylazanium dichloride, RefChem:228820
| Molecular Formula | C29H42Cl2N2O2S |
|---|---|
| Molecular Weight | 552.23 g/mol |
| LogP | -2.47 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 552.2344 |
| Heavy Atoms | 36 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 37771-04-3 |
|---|---|
| SMILES | CC[NH+](CC)CCCC(=O)C1=CC2=C(C=C1)SC3=C(C2)C=C(C=C3)C(=O)CCC[NH+](CC)CC.[Cl-].[Cl-] |
| InChIKey | PVEPXSMPEVCRLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:228820 (CAS 37771-04-3), with molecular formula C29H42Cl2N2O2S and molecular weight 552.23 g/mol. IUPAC: [4-[7-[4-(diethylazaniumyl)butanoyl]-9H-thioxanthen-2-yl]-4-oxobutyl]-diethylazanium dichloride.
Chemical Property Profile of RefChem:228820
Property Insights of RefChem:228820
The XLogP value of -2.47 indicates that RefChem:228820 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:228820. Following Lipinski's Rule of Five, RefChem:228820 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:228820?
The CAS number of RefChem:228820 is 37771-04-3.
What is the molecular formula of RefChem:228820?
The molecular formula of RefChem:228820 is C29H42Cl2N2O2S.
What is the molecular weight of RefChem:228820?
The molecular weight of RefChem:228820 is 552.23 g/mol.
Where can I buy RefChem:228820?
You can request a quote for RefChem:228820 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:228820?
Yes, KEHONG BIO provides custom synthesis services for RefChem:228820 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.