Aflatoxin B1 aldehyde
TL;DR: Aflatoxin B1 aldehyde (CAS 51541-43-6) is a chemical compound with molecular formula C18H12O7 and molecular weight 340.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,7R)-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-10-carbaldehyde
Also Known As: Aflatoxin B1 aldehyde, (6aR-cis)-1,2,3,6a,9a,11-Hexahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-5-carboxaldehyde, 1,2,3,6a,9a,11-Hexahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-5-carboxaldehyde (6aR-cis)-, Cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-5-carboxaldehyde, 1,2,3,6a,9a,11-hexahydro-4-methoxy-1,11-dioxo-, (6aR-cis)-, (6aR,9aS)-4-Methoxy-1,11-dioxo-1,2,3,6a,9a,11-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-5-carbaldehyde
| Molecular Formula | C18H12O7 |
|---|---|
| Molecular Weight | 340.06 g/mol |
| LogP | 2.089 |
| Topological Polar Surface Area | 92.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.0583 |
| Heavy Atoms | 25 |
| Complexity | 1059.7498 |
Chemical Identifiers
| CAS Number | 51541-43-6 |
|---|---|
| SMILES | COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1C=O |
Product Overview
Aflatoxin B1 aldehyde (CAS 51541-43-6), with molecular formula C18H12O7 and molecular weight 340.06 g/mol. IUPAC: (3S,7R)-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaene-10-carbaldehyde.
Chemical Property Profile of Aflatoxin B1 aldehyde
Property Insights of Aflatoxin B1 aldehyde
The XLogP value of 2.089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aflatoxin B1 aldehyde. The TPSA of 92.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Aflatoxin B1 aldehyde. Following Lipinski's Rule of Five, Aflatoxin B1 aldehyde has 0 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 B1 aldehyde?
The CAS number of Aflatoxin B1 aldehyde is 51541-43-6.
What is the molecular formula of Aflatoxin B1 aldehyde?
The molecular formula of Aflatoxin B1 aldehyde is C18H12O7.
What is the molecular weight of Aflatoxin B1 aldehyde?
The molecular weight of Aflatoxin B1 aldehyde is 340.06 g/mol.
Where can I buy Aflatoxin B1 aldehyde?
You can request a quote for Aflatoxin B1 aldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aflatoxin B1 aldehyde?
Yes, KEHONG BIO provides custom synthesis services for Aflatoxin B1 aldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.