thymeleatoxin
TL;DR: thymeleatoxin (CAS 94482-56-1) is a chemical compound with molecular formula C36H36O10 and molecular weight 628.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,6S,7S,8R,10S,11S,12R,16S,17R,18R)-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] 3-phenylprop-2-enoate
Also Known As: thymeleatoxin, [(1S,2R,6S,7S,8R,10S,11S,12R,16S,17R,18R)-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] 3-phenylprop-2-enoate
| Molecular Formula | C36H36O10 |
|---|---|
| Molecular Weight | 628.23 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 628.23083 |
| Heavy Atoms | 46 |
| Complexity | 1390.0 |
Chemical Identifiers
| CAS Number | 94482-56-1 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@]2([C@H]3[C@H]4[C@@]1([C@@H]5C=C(C(=O)[C@]5([C@@H]([C@@]6([C@H]4O6)CO)O)O)C)OC(O3)(O2)C7=CC=CC=C7)C(=C)C)OC(=O)C=CC8=CC=CC=C8 |
| InChIKey | OTTFLYUONKAFGT-BHBPMAHKSA-N |
Product Overview
thymeleatoxin (CAS 94482-56-1), with molecular formula C36H36O10 and molecular weight 628.23 g/mol. IUPAC: [(1S,2R,6S,7S,8R,10S,11S,12R,16S,17R,18R)-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] 3-phenylprop-2-enoate.
Chemical Property Profile of thymeleatoxin
Property Insights of thymeleatoxin
The XLogP value of 3.2 indicates that thymeleatoxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting thymeleatoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, thymeleatoxin 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 thymeleatoxin?
The CAS number of thymeleatoxin is 94482-56-1.
What is the molecular formula of thymeleatoxin?
The molecular formula of thymeleatoxin is C36H36O10.
What is the molecular weight of thymeleatoxin?
The molecular weight of thymeleatoxin is 628.23 g/mol.
Where can I buy thymeleatoxin?
You can request a quote for thymeleatoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for thymeleatoxin?
Yes, KEHONG BIO provides custom synthesis services for thymeleatoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.