Acetylalkannin
TL;DR: Acetylalkannin (CAS 34232-27-4) is a chemical compound with molecular formula C18H18O6 and molecular weight 330.11 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] acetate
Also Known As: Acetylalkannin, alkannin acetate, Acetyl alkannin, Acetylshikonin, O-Acetylalkannin
| Molecular Formula | C18H18O6 |
|---|---|
| Molecular Weight | 330.11 g/mol |
| LogP | 2.6912 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.11035 |
| Heavy Atoms | 24 |
| Complexity | 780.9439 |
Chemical Identifiers
| CAS Number | 34232-27-4 |
|---|---|
| SMILES | CC(=CC[C@@H](C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C)C |
Product Overview
Acetylalkannin (CAS 34232-27-4), with molecular formula C18H18O6 and molecular weight 330.11 g/mol. IUPAC: [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate.
Chemical Property Profile of Acetylalkannin
Property Insights of Acetylalkannin
The XLogP value of 2.6912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylalkannin. The TPSA of 100.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetylalkannin. Following Lipinski's Rule of Five, Acetylalkannin 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 Acetylalkannin?
The CAS number of Acetylalkannin is 34232-27-4.
What is the molecular formula of Acetylalkannin?
The molecular formula of Acetylalkannin is C18H18O6.
What is the molecular weight of Acetylalkannin?
The molecular weight of Acetylalkannin is 330.11 g/mol.
Where can I buy Acetylalkannin?
You can request a quote for Acetylalkannin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetylalkannin?
Yes, KEHONG BIO provides custom synthesis services for Acetylalkannin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.