1,3-Dadppt
TL;DR: 1,3-Dadppt (CAS 100858-16-0) is a chemical compound with molecular formula C44H77NO8 and molecular weight 747.56 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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, RefChem:72669
| Molecular Formula | C44H77NO8 |
|---|---|
| Molecular Weight | 747.56 g/mol |
| LogP | 12.4 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 36 |
| Exact Mass | 747.56494 |
| Heavy Atoms | 53 |
| Complexity | 896.0 |
Chemical Identifiers
| CAS Number | 100858-16-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)C(C(C(C(=O)CCCCCCCCCCCCCCC)O)(C(=O)C(CC1=C(C(=CC=C1)O)O)N)O)O |
| InChIKey | NEPLGLCILRJJRU-UHFFFAOYSA-N |
Product Overview
1,3-Dadppt (CAS 100858-16-0), with molecular formula C44H77NO8 and molecular weight 747.56 g/mol. IUPAC: 18-[2-amino-3-(2,3-dihydroxyphenyl)propanoyl]-17,18,19-trihydroxypentatriacontane-16,20-dione.
Chemical Property Profile of 1,3-Dadppt
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
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 747.56 g/mol.
Where can I buy 1,3-Dadppt?
You can request a quote for 1,3-Dadppt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dadppt?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dadppt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.