Aflatoxin B1-2,3-diol
TL;DR: Aflatoxin B1-2,3-diol (CAS 75084-29-6) is a chemical compound with molecular formula C17H14O8 and molecular weight 346.06888 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dihydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione
Also Known As: Aflatoxin B1-2,3-diol, aflatoxin B1 8,9-dihydrodiol, 8,9-dihydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione
Technical Specifications
| Molecular Formula | C17H14O8 |
| Molecular Weight | 346.06888 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 346.06888 Da |
| Heavy Atoms | 25 |
| Complexity | 672.0 |
| SMILES | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C(C(OC5OC4=C1)O)O |
| InChIKey | JRZBEIPOZPNWID-UHFFFAOYSA-N |
Chemical Property Profile of Aflatoxin B1-2,3-diol
Property Insights of Aflatoxin B1-2,3-diol
The XLogP value of -0.2 indicates that Aflatoxin B1-2,3-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aflatoxin B1-2,3-diol. Following Lipinski's Rule of Five, Aflatoxin B1-2,3-diol has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Aflatoxin B1-2,3-diol?
The CAS number of Aflatoxin B1-2,3-diol is 75084-29-6.
What is the molecular formula of Aflatoxin B1-2,3-diol?
The molecular formula of Aflatoxin B1-2,3-diol is C17H14O8.
What is the molecular weight of Aflatoxin B1-2,3-diol?
The molecular weight of Aflatoxin B1-2,3-diol is 346.06888 g/mol.
Where can I buy Aflatoxin B1-2,3-diol?
You can request a quote for Aflatoxin B1-2,3-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aflatoxin B1-2,3-diol?
Yes, CoreyChem provides custom synthesis services for Aflatoxin B1-2,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.