Isobutylalkannin
TL;DR: Isobutylalkannin (CAS 87562-78-5) is a chemical compound with molecular formula C20H22O6 and molecular weight 358.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate
Also Known As: Isobutyryl Alkannin, Isobutyrylalkannin, isobutylalkannin, J1.853.712E, [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate
| Molecular Formula | C20H22O6 |
|---|---|
| Molecular Weight | 358.14 g/mol |
| LogP | 3.3273 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.14163 |
| Heavy Atoms | 26 |
| Complexity | 824.9483 |
Chemical Identifiers
| CAS Number | 87562-78-5 |
|---|---|
| SMILES | CC(C)C(=O)O[C@@H](CC=C(C)C)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O |
Product Overview
Isobutylalkannin (CAS 87562-78-5), with molecular formula C20H22O6 and molecular weight 358.14 g/mol. IUPAC: [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate.
Chemical Property Profile of Isobutylalkannin
Property Insights of Isobutylalkannin
The XLogP value of 3.3273 indicates that Isobutylalkannin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Isobutylalkannin. Following Lipinski's Rule of Five, Isobutylalkannin has 2 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 Isobutylalkannin?
The CAS number of Isobutylalkannin is 87562-78-5.
What is the molecular formula of Isobutylalkannin?
The molecular formula of Isobutylalkannin is C20H22O6.
What is the molecular weight of Isobutylalkannin?
The molecular weight of Isobutylalkannin is 358.14 g/mol.
Where can I buy Isobutylalkannin?
You can request a quote for Isobutylalkannin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutylalkannin?
Yes, KEHONG BIO provides custom synthesis services for Isobutylalkannin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.