Tomatillidin
TL;DR: Tomatillidin (CAS 986-96-9) is a chemical compound with molecular formula C26H36O5 and molecular weight 428.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-6,10,13-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: Tomatillidin, [(8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-6,10,13-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] acetate, 3,17-Dihydroxy-6-methyl-pregna-3,5-dien-20-one Diacetate, 6-methyl-20-oxopregna-3,5-diene-3,17-diyl diacetate, [(8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-6,10,13-trim
| Molecular Formula | C26H36O5 |
|---|---|
| Molecular Weight | 428.26 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.2563 |
| Heavy Atoms | 31 |
| Complexity | 897.0 |
Chemical Identifiers
| CAS Number | 986-96-9 |
|---|---|
| SMILES | CC1=C2C=C(CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C1)CC[C@@]4(C(=O)C)OC(=O)C)C)C)OC(=O)C |
| InChIKey | AGACVXJEVYXWKE-PXMKSXJSSA-N |
Product Overview
Tomatillidin (CAS 986-96-9), with molecular formula C26H36O5 and molecular weight 428.26 g/mol. IUPAC: [(8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-6,10,13-trimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of Tomatillidin
Property Insights of Tomatillidin
The XLogP value of 3.9 indicates that Tomatillidin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Tomatillidin. Following Lipinski's Rule of Five, Tomatillidin has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tomatillidin?
The CAS number of Tomatillidin is 986-96-9.
What is the molecular formula of Tomatillidin?
The molecular formula of Tomatillidin is C26H36O5.
What is the molecular weight of Tomatillidin?
The molecular weight of Tomatillidin is 428.26 g/mol.
Where can I buy Tomatillidin?
You can request a quote for Tomatillidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tomatillidin?
Yes, KEHONG BIO provides custom synthesis services for Tomatillidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.