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Tryptophan, octyl ester structure
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Tryptophan, octyl ester

TL;DR: Tryptophan, octyl ester (CAS 77521-33-6) is a chemical compound with molecular formula C19H28N2O2 and molecular weight 316.2151 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

octyl 2-amino-3-(1H-indol-3-yl)propanoate

Also Known As: Octyl tryptophanate, Tryptophan, octyl ester, octyl 2-amino-3-(1H-indol-3-yl)propanoate, J3.804.321H, TOE

CAS Number
77521-33-6
Molecular Formula
C19H28N2O2
Molecular Weight
316.2151 g/mol
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Application Areas

Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.

Heterocyclic Building Blocks (11 patents) Pharmaceutical Intermediates (15 patents)

Technical Specifications

Molecular FormulaC19H28N2O2
Molecular Weight316.2151 g/mol
XLogP5.0
Topological Polar Surface Area (TPSA)68.1 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors3
Rotatable Bonds11
Exact Mass316.2151 Da
Heavy Atoms23
Complexity348.0
SMILESCCCCCCCCOC(=O)C(CC1=CNC2=CC=CC=C21)N
InChIKeyLEYORBXXAFPSGY-UHFFFAOYSA-N

Chemical Property Profile of Tryptophan, octyl ester

XLogP
5.0
TPSA (Topological Polar Surface Area)
68.1
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
Rotatable Bonds
11
Heavy Atoms
23
Complexity
348.0
Exact Mass
316.2151
Monoisotopic Mass
316.2151
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 Tryptophan, octyl ester

The XLogP value of 5.0 indicates that Tryptophan, octyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Tryptophan, octyl ester. Following Lipinski's Rule of Five, Tryptophan, octyl ester has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Tryptophan, octyl ester?

The CAS number of Tryptophan, octyl ester is 77521-33-6.

What is the molecular formula of Tryptophan, octyl ester?

The molecular formula of Tryptophan, octyl ester is C19H28N2O2.

What is the molecular weight of Tryptophan, octyl ester?

The molecular weight of Tryptophan, octyl ester is 316.2151 g/mol.

Where can I buy Tryptophan, octyl ester?

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

Does CoreyChem offer custom synthesis for Tryptophan, octyl ester?

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

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