RefChem:239098
TL;DR: RefChem:239098 (CAS 68360-93-0) is a chemical compound with molecular formula C37H55N3O19 and molecular weight 845.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-carboxy-3,5-dihydroxy-5-oxopentanoate);2-[2-[3-[2-(diethylazaniumyl)ethoxycarbonyl]-1,2-dimethylindol-5-yl]oxyacetyl]oxyethyl-diethylazanium
Also Known As: C25H39N3O5.2C6H8O7.1/2H2O, 1H-Indole-3-carboxylic acid, 5-(2-(2-(diethylamino)ethoxy)-2-oxoethoxy)-1,2-dimethyl-, 2-(diethylamino)ethyl ester, dicitrate, hemihydrate, 1,2-Dimethyl-3-carboxyindolyl-5-hydroxyacetic acid bis-diethylaminoethyl ester dicitrate, C25-H39-N3-O5.2C6-H8-O7.1/2H2-O, 3-Carboxy-3,5-dihydroxy-5-oxopentanoate;2-[5-[2-[2-(diethylazaniumyl)ethoxy]-2-oxoethoxy]-1,2-dimethylindole-3-carbonyl]oxyethyl-diethylazanium
| Molecular Formula | C37H55N3O19 |
|---|---|
| Molecular Weight | 845.34 g/mol |
| LogP | -4.75 |
| Topological Polar Surface Area | 346.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 24 |
| Exact Mass | 845.34296 |
| Heavy Atoms | 59 |
| Complexity | 836.0 |
Chemical Identifiers
| CAS Number | 68360-93-0 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)COC1=CC2=C(C=C1)N(C(=C2C(=O)OCC[NH+](CC)CC)C)C.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O |
| InChIKey | KZLYEDSQPLUVCZ-UHFFFAOYSA-N |
Product Overview
RefChem:239098 (CAS 68360-93-0), with molecular formula C37H55N3O19 and molecular weight 845.34 g/mol. IUPAC: bis(3-carboxy-3,5-dihydroxy-5-oxopentanoate);2-[2-[3-[2-(diethylazaniumyl)ethoxycarbonyl]-1,2-dimethylindol-5-yl]oxyacetyl]oxyethyl-diethylazanium.
Chemical Property Profile of RefChem:239098
Property Insights of RefChem:239098
The XLogP value of -4.75 indicates that RefChem:239098 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 346.0 Ų indicates high polarity, suggesting RefChem:239098 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:239098 has 8 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:239098?
The CAS number of RefChem:239098 is 68360-93-0.
What is the molecular formula of RefChem:239098?
The molecular formula of RefChem:239098 is C37H55N3O19.
What is the molecular weight of RefChem:239098?
The molecular weight of RefChem:239098 is 845.34 g/mol.
Where can I buy RefChem:239098?
You can request a quote for RefChem:239098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239098?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.