tinyatoxin
TL;DR: tinyatoxin (CAS 58821-95-7) is a chemical compound with molecular formula C36H38O8 and molecular weight 598.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl)methyl 2-(4-hydroxyphenyl)acetate
Also Known As: tinyatoxin, KST-1A6438, [2-benzyl-6a-hydroxy-8,10-dimethyl-7-oxo-11a-(prop-1-en-2-yl)-3a,6,6a,7,9a,10,11,11a-octahydro-3bh-2,9b-epoxyazuleno[4',5':5,6]benzo[1,2-d][1,3]dioxol-5-yl]methyl(4-hydroxyphenyl)acetate, (13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl)methyl 2-(4-hydroxyphenyl)acetate, (2-benzyl-6a-hydroxy-8,10-dimethyl-7-oxo-11a-(prop-1-en-2-yl)-3a,3b,6,6a,9a,10,11,11a-octahydro-7H-2,9b-epoxyazuleno[5',4':3,4]benzo[1,2-d][1,3]dioxol-5-yl)methyl 2-(4-hydroxyphenyl)acetate
| Molecular Formula | C36H38O8 |
|---|---|
| Molecular Weight | 598.26 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 598.25665 |
| Heavy Atoms | 44 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 58821-95-7 |
|---|---|
| SMILES | CC1CC2(C3C4C1(C5C=C(C(=O)C5(CC(=C4)COC(=O)CC6=CC=C(C=C6)O)O)C)OC(O3)(O2)CC7=CC=CC=C7)C(=C)C |
| InChIKey | WWZMXEIBZCEIFB-UHFFFAOYSA-N |
Product Overview
tinyatoxin (CAS 58821-95-7), with molecular formula C36H38O8 and molecular weight 598.26 g/mol. IUPAC: (13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl)methyl 2-(4-hydroxyphenyl)acetate.
Chemical Property Profile of tinyatoxin
Property Insights of tinyatoxin
The XLogP value of 4.5 indicates that tinyatoxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for tinyatoxin. Following Lipinski's Rule of Five, tinyatoxin has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tinyatoxin?
The CAS number of tinyatoxin is 58821-95-7.
What is the molecular formula of tinyatoxin?
The molecular formula of tinyatoxin is C36H38O8.
What is the molecular weight of tinyatoxin?
The molecular weight of tinyatoxin is 598.26 g/mol.
Where can I buy tinyatoxin?
You can request a quote for tinyatoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tinyatoxin?
Yes, KEHONG BIO provides custom synthesis services for tinyatoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.