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4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid structure
Fine Chemical

4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid

TL;DR: 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid (CAS 111106-28-6) is a chemical compound with molecular formula C21H30Cl2N2O5 and molecular weight 460.15317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid

Also Known As: 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid, Pentanoic acid, 4-((3,4-dichlorobenzoyl)amino)-5-((3-methoxypropyl)(3-methylbutyl)amino)-5-oxo-, (+-)-, 4-[(3,4-dichlorobenzoyl)amino]-4-(3-methoxypropyl-(3-methylbutyl)carba moyl)butanoic acid, Pentanoic acid,4-[(3,4-dichlorobenzoyl)amino]-5-[(3-methoxypropyl)(3-methylbutyl)amino]-5-oxo-, 4-[(3,4-dichlorobenzoyl)amino]-4-(3-methoxypropyl-(3-methylbutyl)carbamoyl)butanoic Acid

CAS Number
111106-28-6
Molecular Formula
C21H30Cl2N2O5
Molecular Weight
460.15317 g/mol
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Technical Specifications

Molecular FormulaC21H30Cl2N2O5
Molecular Weight460.15317 g/mol
XLogP3.8
Topological Polar Surface Area (TPSA)95.9 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors5
Rotatable Bonds13
Exact Mass460.15317 Da
Heavy Atoms30
Complexity562.0
SMILESCC(C)CCN(CCCOC)C(=O)C(CCC(=O)O)NC(=O)C1=CC(=C(C=C1)Cl)Cl
InChIKeyGVNDEBPOTTUDBX-UHFFFAOYSA-N

Chemical Property Profile of 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid

XLogP
3.8
TPSA (Topological Polar Surface Area)
95.9
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
Rotatable Bonds
13
Heavy Atoms
30
Complexity
562.0
Exact Mass
460.15317
Monoisotopic Mass
460.15317
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 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid

The XLogP value of 3.8 indicates that 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid. Following Lipinski's Rule of Five, 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid 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 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid?

The CAS number of 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid is 111106-28-6.

What is the molecular formula of 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid?

The molecular formula of 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid is C21H30Cl2N2O5.

What is the molecular weight of 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid?

The molecular weight of 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid is 460.15317 g/mol.

Where can I buy 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid?

You can request a quote for 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid?

Yes, CoreyChem provides custom synthesis services for 4-[(3,4-dichlorobenzoyl)amino]-5-[3-methoxypropyl(3-methylbutyl)amino]-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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