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RefChem:268693 structure
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RefChem:268693

TL;DR: RefChem:268693 (CAS 37391-17-6) is a chemical compound with molecular formula C22H26N2O5 and molecular weight 398.18417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

dimethyl-[3-(3-methyl-2-oxo-3-phenylindol-1-yl)propyl]azanium;2-hydroxy-2-oxoacetate

Also Known As: 1,3-Dihydro-1-(3-(dimethylamino)propyl)-3-methyl-3-phenyl-2H-indol-2-one oxalate, 2H-Indol-2-one, 1,3-dihydro-1-(3-(dimethylamino)propyl)-3-methyl-3-phenyl-, oxalate (1:1), dimethyl-[3-(3-methyl-2-oxo-3-phenylindol-1-yl)propyl]azanium;2-hydroxy-2-oxoacetate, dimethyl-[3-(3-methyl-2-oxo-3-phenylindol-1-yl)propyl]azanium; 2-hydroxy-2-oxoacetate

CAS Number
37391-17-6
Molecular Formula
C22H26N2O5
Molecular Weight
398.18417 g/mol
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Technical Specifications

Molecular FormulaC22H26N2O5
Molecular Weight398.18417 g/mol
XLogP-0.31
Topological Polar Surface Area (TPSA)102.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors5
Rotatable Bonds5
Exact Mass398.18417 Da
Heavy Atoms29
Complexity494.0
SMILESCC1(C2=CC=CC=C2N(C1=O)CCC[NH+](C)C)C3=CC=CC=C3.C(=O)(C(=O)[O-])O
InChIKeyNSEDLDYHLBZXPR-UHFFFAOYSA-N

Chemical Property Profile of RefChem:268693

XLogP
-0.31
TPSA (Topological Polar Surface Area)
102.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
Rotatable Bonds
5
Heavy Atoms
29
Complexity
494.0
Exact Mass
398.18417
Monoisotopic Mass
398.18417
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of RefChem:268693

The XLogP value of -0.31 indicates that RefChem:268693 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:268693. Following Lipinski's Rule of Five, RefChem:268693 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of RefChem:268693?

The CAS number of RefChem:268693 is 37391-17-6.

What is the molecular formula of RefChem:268693?

The molecular formula of RefChem:268693 is C22H26N2O5.

What is the molecular weight of RefChem:268693?

The molecular weight of RefChem:268693 is 398.18417 g/mol.

Where can I buy RefChem:268693?

You can request a quote for RefChem:268693 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for RefChem:268693?

Yes, CoreyChem provides custom synthesis services for RefChem:268693 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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