Gniditrin
TL;DR: Gniditrin (CAS 55306-10-0) is a chemical compound with molecular formula C37H42O10 and molecular weight 646.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-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] deca-2,4,6-trienoate
Also Known As: Gniditrin, [6,7-Dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-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] deca-2,4,6-trienoate
| Molecular Formula | C37H42O10 |
|---|---|
| Molecular Weight | 646.28 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 646.2778 |
| Heavy Atoms | 47 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 55306-10-0 |
|---|---|
| SMILES | CCCC=CC=CC=CC(=O)OC1C(C23C4C=C(C(=O)C4(C(C5(C(C2C6C1(OC(O6)(O3)C7=CC=CC=C7)C(=C)C)O5)CO)O)O)C)C |
| InChIKey | NEIGQRKMHFDLTK-UHFFFAOYSA-N |
Product Overview
Gniditrin (CAS 55306-10-0), with molecular formula C37H42O10 and molecular weight 646.28 g/mol. IUPAC: [6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-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] deca-2,4,6-trienoate.
Chemical Property Profile of Gniditrin
Property Insights of Gniditrin
The XLogP value of 4.2 indicates that Gniditrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting Gniditrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gniditrin has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gniditrin?
The CAS number of Gniditrin is 55306-10-0.
What is the molecular formula of Gniditrin?
The molecular formula of Gniditrin is C37H42O10.
What is the molecular weight of Gniditrin?
The molecular weight of Gniditrin is 646.28 g/mol.
Where can I buy Gniditrin?
You can request a quote for Gniditrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gniditrin?
Yes, KEHONG BIO provides custom synthesis services for Gniditrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.