Aflatoxin-B2 oximinoacetate
TL;DR: Aflatoxin-B2 oximinoacetate (CAS 118920-31-3) is a chemical compound with molecular formula C19H17NO8 and molecular weight 387.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-[(4S,8R)-11-methoxy-18-oxo-7,9,19-trioxapentacyclo[10.7.0.03,10.04,8.013,17]nonadeca-1(12),2,10,13(17)-tetraen-16-ylidene]amino]oxyacetic acid
Also Known As: Aflatoxin-B2 oximinoacetate, Aflatoxin-B2-oximinoacetate, Acetic acid, (((1,4,6b,7,8,9a-hexahydro-11-methoxy-4-oxocyclopenta(c)furo(3',2':4,5)furo(2,3-g)(1)benzopyran-3(2H)-ylidene)amino)oxy)-, (6bS-cis)-
| Molecular Formula | C19H17NO8 |
|---|---|
| Molecular Weight | 387.10 g/mol |
| LogP | 1.7755 |
| Topological Polar Surface Area | 116.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.09543 |
| Heavy Atoms | 28 |
| Complexity | 1085.7557 |
Chemical Identifiers
| CAS Number | 118920-31-3 |
|---|---|
| SMILES | COC1=C2C(=CC3=C1C4=C(/C(=N/OCC(=O)O)/CC4)C(=O)O3)[C@@H]5CCO[C@@H]5O2 |
Product Overview
Aflatoxin-B2 oximinoacetate (CAS 118920-31-3), with molecular formula C19H17NO8 and molecular weight 387.10 g/mol. IUPAC: 2-[(E)-[(4S,8R)-11-methoxy-18-oxo-7,9,19-trioxapentacyclo[10.7.0.03,10.04,8.013,17]nonadeca-1(12),2,10,13(17)-tetraen-16-ylidene]amino]oxyacetic acid.
Chemical Property Profile of Aflatoxin-B2 oximinoacetate
Property Insights of Aflatoxin-B2 oximinoacetate
The XLogP value of 1.7755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aflatoxin-B2 oximinoacetate. The TPSA of 116.79 Ų falls within the moderate polarity range, balancing permeability and solubility for Aflatoxin-B2 oximinoacetate. Following Lipinski's Rule of Five, Aflatoxin-B2 oximinoacetate has 1 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 Aflatoxin-B2 oximinoacetate?
The CAS number of Aflatoxin-B2 oximinoacetate is 118920-31-3.
What is the molecular formula of Aflatoxin-B2 oximinoacetate?
The molecular formula of Aflatoxin-B2 oximinoacetate is C19H17NO8.
What is the molecular weight of Aflatoxin-B2 oximinoacetate?
The molecular weight of Aflatoxin-B2 oximinoacetate is 387.10 g/mol.
Where can I buy Aflatoxin-B2 oximinoacetate?
You can request a quote for Aflatoxin-B2 oximinoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aflatoxin-B2 oximinoacetate?
Yes, KEHONG BIO provides custom synthesis services for Aflatoxin-B2 oximinoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.