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Naltriben structure
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Naltriben

TL;DR: Naltriben (CAS 111555-58-9) is a chemical compound with molecular formula C26H25NO4 and molecular weight 415.17834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

22-(cyclopropylmethyl)-11,14-dioxa-22-azaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol

Also Known As: Naltriben, Naltriben mesylate, naltrindole benzofuran, BRD-A21723284-066-01-7, 22-(Cyclopropylmethyl)-11,14-dioxa-22-azaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol

CAS Number
111555-58-9
Molecular Formula
C26H25NO4
Molecular Weight
415.17834 g/mol
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Technical Specifications

Molecular FormulaC26H25NO4
Molecular Weight415.17834 g/mol
XLogP3.6
Topological Polar Surface Area (TPSA)66.1 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors5
Rotatable Bonds2
Exact Mass415.17834 Da
Heavy Atoms31
Complexity773.0
SMILESC1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8O6
InChIKeyZHVWWEYETMPAMX-UHFFFAOYSA-N

Chemical Property Profile of Naltriben

XLogP
3.6
TPSA (Topological Polar Surface Area)
66.1
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
Rotatable Bonds
2
Heavy Atoms
31
Complexity
773.0
Exact Mass
415.17834
Monoisotopic Mass
415.17834
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 Naltriben

The XLogP value of 3.6 indicates that Naltriben is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Naltriben. Following Lipinski's Rule of Five, Naltriben 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 Naltriben?

The CAS number of Naltriben is 111555-58-9.

What is the molecular formula of Naltriben?

The molecular formula of Naltriben is C26H25NO4.

What is the molecular weight of Naltriben?

The molecular weight of Naltriben is 415.17834 g/mol.

Where can I buy Naltriben?

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

Does CoreyChem offer custom synthesis for Naltriben?

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

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