8-Acetoxyalatoxin B2
TL;DR: 8-Acetoxyalatoxin B2 (CAS 22596-82-3) is a chemical compound with molecular formula C19H16O8 and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S,7S)-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-5-yl] acetate
Also Known As: 8-Acetoxyalatoxin B2, 2,3-dimethyl-2-nitro-oxirane, KST-1A3210, Aflatoxin B1, dihdyrohydroxy-, acetate, (6as,8s,9as)-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl acetate
| Molecular Formula | C19H16O8 |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.0845 |
| Heavy Atoms | 27 |
| Complexity | 742.0 |
Chemical Identifiers
| CAS Number | 22596-82-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@H]2[C@H](O1)OC3=CC(=C4C5=C(C(=O)CC5)C(=O)OC4=C23)OC |
| InChIKey | FTYMXWPNEIXDMV-ZVSKPCGTSA-N |
Product Overview
8-Acetoxyalatoxin B2 (CAS 22596-82-3), with molecular formula C19H16O8 and molecular weight 372.08 g/mol. IUPAC: [(3S,5S,7S)-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraen-5-yl] acetate.
Chemical Property Profile of 8-Acetoxyalatoxin B2
Property Insights of 8-Acetoxyalatoxin B2
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Acetoxyalatoxin B2. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Acetoxyalatoxin B2. Following Lipinski's Rule of Five, 8-Acetoxyalatoxin B2 has 0 hydrogen bond donor(s) and 8 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 8-Acetoxyalatoxin B2?
The CAS number of 8-Acetoxyalatoxin B2 is 22596-82-3.
What is the molecular formula of 8-Acetoxyalatoxin B2?
The molecular formula of 8-Acetoxyalatoxin B2 is C19H16O8.
What is the molecular weight of 8-Acetoxyalatoxin B2?
The molecular weight of 8-Acetoxyalatoxin B2 is 372.08 g/mol.
Where can I buy 8-Acetoxyalatoxin B2?
You can request a quote for 8-Acetoxyalatoxin B2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Acetoxyalatoxin B2?
Yes, KEHONG BIO provides custom synthesis services for 8-Acetoxyalatoxin B2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.