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CTK4A5040 structure
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CTK4A5040

TL;DR: CTK4A5040 (CAS 107176-89-6) is a chemical compound with molecular formula C29H33N3O10S and molecular weight 615.18866 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

bis(but-2-enedioic acid);2-(3-morpholin-4-ylpropylamino)-1-phenothiazin-10-ylethanone

Also Known As: 10-(N-(3-Morpholinopropyl)glycyl)phenothiazine dimaleate, Phenothiazine, 10-(N-(3-morpholinopropyl)glycyl)-, dimaleate, 10-(N-(3-MORPHOLINOPROPYL)GLYCYL)PHENOTHIAZINE, DIMALEATE

CAS Number
107176-89-6
Molecular Formula
C29H33N3O10S
Molecular Weight
615.18866 g/mol
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Technical Specifications

Molecular FormulaC29H33N3O10S
Molecular Weight615.18866 g/mol
XLogP2.5514
Topological Polar Surface Area (TPSA)219.0 Ų
Hydrogen Bond Donors5
Hydrogen Bond Acceptors13
Rotatable Bonds10
Exact Mass615.18866 Da
Heavy Atoms43
Complexity583.0
SMILESC1COCCN1CCCNCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
InChIKeyINPKFDPQZRHAMJ-UHFFFAOYSA-N

Chemical Property Profile of CTK4A5040

XLogP
2.5514
TPSA (Topological Polar Surface Area)
219.0
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
13
Rotatable Bonds
10
Heavy Atoms
43
Complexity
583.0
Exact Mass
615.18866
Monoisotopic Mass
615.18866
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 CTK4A5040

The XLogP value of 2.5514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK4A5040. The TPSA of 219.0 Ų indicates high polarity, suggesting CTK4A5040 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK4A5040 has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of CTK4A5040?

The CAS number of CTK4A5040 is 107176-89-6.

What is the molecular formula of CTK4A5040?

The molecular formula of CTK4A5040 is C29H33N3O10S.

What is the molecular weight of CTK4A5040?

The molecular weight of CTK4A5040 is 615.18866 g/mol.

Where can I buy CTK4A5040?

You can request a quote for CTK4A5040 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for CTK4A5040?

Yes, CoreyChem provides custom synthesis services for CTK4A5040 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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