Aflatoxin D1
TL;DR: Aflatoxin D1 (CAS 52373-83-8) is a chemical compound with molecular formula C16H14O5 and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3aR,8bS)-8-hydroxy-6-methoxy-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl]cyclopent-2-en-1-one
Also Known As: Aflatoxin D1, Aflatoxin D(1), JRUMBKYTDKXCJC-MGPLVRAMSA-, 2-Cyclopenten-1-one, 3-((3aS,8aR)-3a,8a-dihydro-4-hydroxy-6-methoxyfuro(2,3-b)benzofuran-5-yl)-, 3-(4-Hydroxy-6-methoxy-3a,8a-dihydrofuro[2,3-b][1]benzofuran-5-yl)cyclopent-2-en-1-one
| Molecular Formula | C16H14O5 |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.08414 |
| Heavy Atoms | 21 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 52373-83-8 |
|---|---|
| SMILES | COC1=C(C(=C2[C@@H]3C=CO[C@@H]3OC2=C1)O)C4=CC(=O)CC4 |
| InChIKey | JRUMBKYTDKXCJC-MGPLVRAMSA-N |
Product Overview
Aflatoxin D1 (CAS 52373-83-8), with molecular formula C16H14O5 and molecular weight 286.08 g/mol. IUPAC: 3-[(3aR,8bS)-8-hydroxy-6-methoxy-3a,8b-dihydrofuro[2,3-b][1]benzofuran-7-yl]cyclopent-2-en-1-one.
Chemical Property Profile of Aflatoxin D1
Property Insights of Aflatoxin D1
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aflatoxin D1. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aflatoxin D1. Following Lipinski's Rule of Five, Aflatoxin D1 has 1 hydrogen bond donor(s) and 5 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 D1?
The CAS number of Aflatoxin D1 is 52373-83-8.
What is the molecular formula of Aflatoxin D1?
The molecular formula of Aflatoxin D1 is C16H14O5.
What is the molecular weight of Aflatoxin D1?
The molecular weight of Aflatoxin D1 is 286.08 g/mol.
Where can I buy Aflatoxin D1?
You can request a quote for Aflatoxin D1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aflatoxin D1?
Yes, KEHONG BIO provides custom synthesis services for Aflatoxin D1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.