Roquefortine E
TL;DR: Roquefortine E (CAS 871982-52-4) is a chemical compound with molecular formula C27H31N5O2 and molecular weight 457.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4E,7S,9R)-9-(2-methylbut-3-en-2-yl)-4-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Also Known As: Roquefortine E, RoquefortineE, Roquefortin E, Isoroquefortine E, J2.263.486K
| Molecular Formula | C27H31N5O2 |
|---|---|
| Molecular Weight | 457.25 g/mol |
| LogP | 3.8467 |
| Topological Polar Surface Area | 90.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.24777 |
| Heavy Atoms | 34 |
| Complexity | 1253.2167 |
Chemical Identifiers
| CAS Number | 871982-52-4 |
|---|---|
| SMILES | CC(C)(C=C)C1=C(N=CN1)/C=C/2\C(=O)N3[C@@H](C[C@@]4([C@H]3NC5=CC=CC=C54)C(C)(C)C=C)C(=O)N2 |
Product Overview
Roquefortine E (CAS 871982-52-4), with molecular formula C27H31N5O2 and molecular weight 457.25 g/mol. IUPAC: (1S,4E,7S,9R)-9-(2-methylbut-3-en-2-yl)-4-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione.
Chemical Property Profile of Roquefortine E
Property Insights of Roquefortine E
The XLogP value of 3.8467 indicates that Roquefortine E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.12 Ų falls within the moderate polarity range, balancing permeability and solubility for Roquefortine E. Following Lipinski's Rule of Five, Roquefortine E has 3 hydrogen bond donor(s) and 4 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 Roquefortine E?
The CAS number of Roquefortine E is 871982-52-4.
What is the molecular formula of Roquefortine E?
The molecular formula of Roquefortine E is C27H31N5O2.
What is the molecular weight of Roquefortine E?
The molecular weight of Roquefortine E is 457.25 g/mol.
Where can I buy Roquefortine E?
You can request a quote for Roquefortine E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roquefortine E?
Yes, KEHONG BIO provides custom synthesis services for Roquefortine E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.