Nordeoxynivalenol B
TL;DR: Nordeoxynivalenol B (CAS 1122-93-6) is a chemical compound with molecular formula C14H18O5 and molecular weight 266.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,3aR,8bR)-3a-(hydroxymethyl)-6,8b-dimethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2,3,5-triol
Also Known As: Nordeoxynivalenol B, norDON B, KST-1A0598, (2r,3r,3ar,8br)-3a-(hydroxymethyl)-6,8b-dimethyl-2,3,3a,8b-tetrahydro-1h-benzo[b]cyclopenta[d]furan-2,3,5-triol, (2R,3R,3aR,8bR)-3a-(hydroxymethyl)-6,8b-dimethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2,3,5-triol
| Molecular Formula | C14H18O5 |
|---|---|
| Molecular Weight | 266.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 266.11542 |
| Heavy Atoms | 19 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 1122-93-6 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)[C@]3(C[C@H]([C@H]([C@]3(O2)CO)O)O)C)O |
| InChIKey | PAKXMQGHFZXKNF-ICGCDAGXSA-N |
Product Overview
Nordeoxynivalenol B (CAS 1122-93-6), with molecular formula C14H18O5 and molecular weight 266.12 g/mol. IUPAC: (2R,3R,3aR,8bR)-3a-(hydroxymethyl)-6,8b-dimethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2,3,5-triol.
Chemical Property Profile of Nordeoxynivalenol B
Property Insights of Nordeoxynivalenol B
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nordeoxynivalenol B. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Nordeoxynivalenol B. Following Lipinski's Rule of Five, Nordeoxynivalenol B has 4 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 Nordeoxynivalenol B?
The CAS number of Nordeoxynivalenol B is 1122-93-6.
What is the molecular formula of Nordeoxynivalenol B?
The molecular formula of Nordeoxynivalenol B is C14H18O5.
What is the molecular weight of Nordeoxynivalenol B?
The molecular weight of Nordeoxynivalenol B is 266.12 g/mol.
Where can I buy Nordeoxynivalenol B?
You can request a quote for Nordeoxynivalenol B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nordeoxynivalenol B?
Yes, KEHONG BIO provides custom synthesis services for Nordeoxynivalenol B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.