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1,3-Dadppt structure
Fine Chemical

1,3-Dadppt

TL;DR: 1,3-Dadppt (CAS 100858-16-0) is a chemical compound with molecular formula C44H77NO8 and molecular weight 747.56494 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

18-[2-amino-3-(2,3-dihydroxyphenyl)propanoyl]-17,18,19-trihydroxypentatriacontane-16,20-dione

Also Known As: 1,3-Dadppt, 18-[2-amino-3-(2,3-dihydroxyphenyl)propanoyl]-17,18,19-trihydroxypentatriacontane-16,20-dione, 1,3-Dihexadecanoyl-2-(2-amino-3-(3,4-dihydroxyphenyl)propanoyl)propane-1,2,3-triol, 18-[2-amino-3-(3,4-dihydroxyphenyl)propanoyl]-17,18,19-trihydroxypentatriacontane-16,20-dione

CAS Number
100858-16-0
Molecular Formula
C44H77NO8
Molecular Weight
747.56494 g/mol
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Technical Specifications

Molecular FormulaC44H77NO8
Molecular Weight747.56494 g/mol
XLogP12.4
Topological Polar Surface Area (TPSA)178.0 Ų
Hydrogen Bond Donors6
Hydrogen Bond Acceptors9
Rotatable Bonds36
Exact Mass747.56494 Da
Heavy Atoms53
Complexity896.0
SMILESCCCCCCCCCCCCCCCC(=O)C(C(C(C(=O)CCCCCCCCCCCCCCC)O)(C(=O)C(CC1=C(C(=CC=C1)O)O)N)O)O
InChIKeyNEPLGLCILRJJRU-UHFFFAOYSA-N

Product Description

Applications: 1,3-Dadppt is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

1,3-Dadppt is a fine chemical identified by CAS number 100858-16-0 and the molecular formula C44H77NO8 and a molecular weight of 747.56 g/mol. Synonyms include 1,3-Dadppt and 18-[2-amino-3-(2,3-dihydroxyphenyl)propanoyl]-17,18,19-trihydroxypentatriacontane-16,20-dione.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of 1,3-Dadppt

XLogP
12.4
TPSA (Topological Polar Surface Area)
178.0
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
9
Rotatable Bonds
36
Heavy Atoms
53
Complexity
896.0
Exact Mass
747.56494
Monoisotopic Mass
747.56494
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 1,3-Dadppt

The XLogP value of 12.4 indicates that 1,3-Dadppt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.0 Ų indicates high polarity, suggesting 1,3-Dadppt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Dadppt has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 1,3-Dadppt?

The CAS number of 1,3-Dadppt is 100858-16-0.

What is the molecular formula of 1,3-Dadppt?

The molecular formula of 1,3-Dadppt is C44H77NO8.

What is the molecular weight of 1,3-Dadppt?

The molecular weight of 1,3-Dadppt is 747.56494 g/mol.

What are the applications of 1,3-Dadppt?

1,3-Dadppt is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

Where can I buy 1,3-Dadppt?

You can request a quote for 1,3-Dadppt directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 1,3-Dadppt?

Yes, CoreyChem provides custom synthesis services for 1,3-Dadppt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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