Sequoiatone A
TL;DR: Sequoiatone A (CAS 243868-65-7) is a chemical compound with molecular formula C23H30O6 and molecular weight 402.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,2S)-2,10-dimethyl-5-[(2S)-2-methyloctanoyl]-4-oxo-3,11-dioxatricyclo[6.4.0.02,6]dodeca-5,7,9-triene-7-carboxylate
Also Known As: Sequoiatone A, J1.185.870H, methyl (1S,2S)-2,10-dimethyl-5-[(2S)-2-methyloctanoyl]-4-oxo-3,11-dioxatricyclo[6.4.0.02,6]dodeca-5,7,9-triene-7-carboxylate, (3aS)-1-[(S)-2-Methyloctanoyl]-2-oxo-3aalpha,6-dimethyl-2,3a,3bbeta,4-tetrahydro-3,5-dioxacyclopenta[a]indene-8-carboxylic acid methyl ester, Methyl (1S,2S)-2,10-dimethyl-5-((2S)-2-methyloctanoyl)-4-oxo-3,11-dioxatricyclo(6.4.0.0,)dodeca-5,7,9-triene-7-carboxylic acid
| Molecular Formula | C23H30O6 |
|---|---|
| Molecular Weight | 402.20 g/mol |
| LogP | 3.8075 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.20422 |
| Heavy Atoms | 29 |
| Complexity | 830.30615 |
Chemical Identifiers
| CAS Number | 243868-65-7 |
|---|---|
| SMILES | CCCCCC[C@H](C)C(=O)C1=C2C(=C3C=C(OC[C@H]3[C@@]2(OC1=O)C)C)C(=O)OC |
Product Overview
Sequoiatone A (CAS 243868-65-7), with molecular formula C23H30O6 and molecular weight 402.20 g/mol. IUPAC: methyl (1S,2S)-2,10-dimethyl-5-[(2S)-2-methyloctanoyl]-4-oxo-3,11-dioxatricyclo[6.4.0.02,6]dodeca-5,7,9-triene-7-carboxylate.
Chemical Property Profile of Sequoiatone A
Property Insights of Sequoiatone A
The XLogP value of 3.8075 indicates that Sequoiatone A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Sequoiatone A. Following Lipinski's Rule of Five, Sequoiatone A has 0 hydrogen bond donor(s) and 6 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 Sequoiatone A?
The CAS number of Sequoiatone A is 243868-65-7.
What is the molecular formula of Sequoiatone A?
The molecular formula of Sequoiatone A is C23H30O6.
What is the molecular weight of Sequoiatone A?
The molecular weight of Sequoiatone A is 402.20 g/mol.
Where can I buy Sequoiatone A?
You can request a quote for Sequoiatone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sequoiatone A?
Yes, KEHONG BIO provides custom synthesis services for Sequoiatone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.