RefChem:239100
TL;DR: RefChem:239100 (CAS 68360-94-1) is a chemical compound with molecular formula C42H57N3O19 and molecular weight 907.36 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]-2-methyl-1-phenylindol-5-yl]oxyacetyl]oxyethyl-diethylazanium
Also Known As: 1H-Indole-3-carboxylic acid, 5-(2-(2-(diethylamino)ethoxy)-2-oxoethoxy)-2-methyl-1-phenyl-, 2-(diethylamino)ethyl ester, dicitrate, 1-Phenyl-2-methyl-3-carboxyindolyl-5-hydroxyacetic acid bis-diethylaminoethyl ester dicitrate, 3-Carboxy-3,5-dihydroxy-5-oxopentanoate;2-[5-[2-[2-(diethylazaniumyl)ethoxy]-2-oxoethoxy]-2-methyl-1-phenylindole-3-carbonyl]oxyethyl-diethylazanium, 1H-INDOLE-3-CARBOXYLIC ACID, 5-(2-(2-(DIETHYLAMINO)ETHOXY)-2-OXOETHOXY)-2-METHYL, 2-({[(3-{[2-(Diethylazaniumyl)ethoxy]carbonyl}-2-methyl-1-phenyl-1H-indol-5-yl)oxy]acetyl}oxy)-N,N-diethylethan-1-aminium bis(3,4-dicarboxy-3-hydroxybutanoate)
| Molecular Formula | C42H57N3O19 |
|---|---|
| Molecular Weight | 907.36 g/mol |
| LogP | -3.3 |
| Topological Polar Surface Area | 346.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 25 |
| Exact Mass | 907.35864 |
| Heavy Atoms | 64 |
| Complexity | 948.0 |
Chemical Identifiers
| CAS Number | 68360-94-1 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)COC1=CC2=C(C=C1)N(C(=C2C(=O)OCC[NH+](CC)CC)C)C3=CC=CC=C3.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 | LTENYGAMDJZBKJ-UHFFFAOYSA-N |
Product Overview
RefChem:239100 (CAS 68360-94-1), with molecular formula C42H57N3O19 and molecular weight 907.36 g/mol. IUPAC: bis(3-carboxy-3,5-dihydroxy-5-oxopentanoate);2-[2-[3-[2-(diethylazaniumyl)ethoxycarbonyl]-2-methyl-1-phenylindol-5-yl]oxyacetyl]oxyethyl-diethylazanium.
Chemical Property Profile of RefChem:239100
Property Insights of RefChem:239100
The XLogP value of -3.3 indicates that RefChem:239100 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:239100 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:239100 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:239100?
The CAS number of RefChem:239100 is 68360-94-1.
What is the molecular formula of RefChem:239100?
The molecular formula of RefChem:239100 is C42H57N3O19.
What is the molecular weight of RefChem:239100?
The molecular weight of RefChem:239100 is 907.36 g/mol.
Where can I buy RefChem:239100?
You can request a quote for RefChem:239100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239100?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.