Gnidilatidin 20-palmitate
TL;DR: Gnidilatidin 20-palmitate (CAS 60195-68-8) is a chemical compound with molecular formula C53H74O11 and molecular weight 886.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-8-(hexadecanoyloxymethyl)-6,7-dihydroxy-4,18-dimethyl-14-[(1E,3E)-nona-1,3-dienyl]-5-oxo-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] benzoate
Also Known As: From Gnidia, Gnidilatidin 20-palmitate, Gnidilatin 20-palmitate, GNIDIA B644130K213 ORIGIN, (2S,3aR,3bS,3cS,4aR,5S,5aS,8bR,9R,10R,10aS)-4a-[(Hexadecanoyloxy)methyl]-5,5a-dihydroxy-7,9-dimethyl-2-[(1E,3E)-nona-1,3-dien-1-yl]-6-oxo-10a-(prop-1-en-2-yl)-3a,3c,4a,5,5a,6,8a,9,10,10a-decahydro-2H,3bH-2,8b-epoxyoxireno[6,7]azuleno[5,4-e][1,3]benzodioxol-10-yl benzoate
| Molecular Formula | C53H74O11 |
|---|---|
| Molecular Weight | 886.52 g/mol |
| LogP | 9.7366 |
| Topological Polar Surface Area | 150.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 25 |
| Exact Mass | 886.52313 |
| Heavy Atoms | 64 |
| Complexity | 1924.3425 |
Chemical Identifiers
| CAS Number | 60195-68-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@@]12[C@@H](O1)[C@H]3[C@@H]4[C@@]5([C@@H]([C@H]([C@@]3(C6C=C(C(=O)[C@]6([C@@H]2O)O)C)O[C@](O4)(O5)/C=C/C=C/CCCCC)C)OC(=O)C7=CC=CC=C7)C(=C)C |
Product Overview
Gnidilatidin 20-palmitate (CAS 60195-68-8), with molecular formula C53H74O11 and molecular weight 886.52 g/mol. IUPAC: [(1R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-8-(hexadecanoyloxymethyl)-6,7-dihydroxy-4,18-dimethyl-14-[(1E,3E)-nona-1,3-dienyl]-5-oxo-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] benzoate.
Chemical Property Profile of Gnidilatidin 20-palmitate
Property Insights of Gnidilatidin 20-palmitate
The XLogP value of 9.7366 indicates that Gnidilatidin 20-palmitate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.35 Ų indicates high polarity, suggesting Gnidilatidin 20-palmitate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gnidilatidin 20-palmitate has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gnidilatidin 20-palmitate?
The CAS number of Gnidilatidin 20-palmitate is 60195-68-8.
What is the molecular formula of Gnidilatidin 20-palmitate?
The molecular formula of Gnidilatidin 20-palmitate is C53H74O11.
What is the molecular weight of Gnidilatidin 20-palmitate?
The molecular weight of Gnidilatidin 20-palmitate is 886.52 g/mol.
Where can I buy Gnidilatidin 20-palmitate?
You can request a quote for Gnidilatidin 20-palmitate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gnidilatidin 20-palmitate?
Yes, KEHONG BIO provides custom synthesis services for Gnidilatidin 20-palmitate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.