Aflatoxin Q1
TL;DR: Aflatoxin Q1 (CAS 52819-96-2) is a chemical compound with molecular formula C17H12O7 and molecular weight 328.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,7R,14S)-14-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
Also Known As: Aflatoxin Q1, AFQ1, PYROVALERONE HYDROCHLORIDE, SID:136368216, (3S,7R,14S)-14-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione
| Molecular Formula | C17H12O7 |
|---|---|
| Molecular Weight | 328.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 328.0583 |
| Heavy Atoms | 24 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 52819-96-2 |
|---|---|
| SMILES | COC1=C2C3=C(C(=O)C[C@@H]3O)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1 |
| InChIKey | GYNOTJLCULOEIM-XKRJZGAWSA-N |
Product Overview
Aflatoxin Q1 (CAS 52819-96-2), with molecular formula C17H12O7 and molecular weight 328.06 g/mol. IUPAC: (3S,7R,14S)-14-hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-16,18-dione.
Chemical Property Profile of Aflatoxin Q1
Property Insights of Aflatoxin Q1
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aflatoxin Q1. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Aflatoxin Q1. Following Lipinski's Rule of Five, Aflatoxin Q1 has 1 hydrogen bond donor(s) and 7 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 Aflatoxin Q1?
The CAS number of Aflatoxin Q1 is 52819-96-2.
What is the molecular formula of Aflatoxin Q1?
The molecular formula of Aflatoxin Q1 is C17H12O7.
What is the molecular weight of Aflatoxin Q1?
The molecular weight of Aflatoxin Q1 is 328.06 g/mol.
Where can I buy Aflatoxin Q1?
You can request a quote for Aflatoxin Q1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aflatoxin Q1?
Yes, KEHONG BIO provides custom synthesis services for Aflatoxin Q1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.