Epitilivalline
TL;DR: Epitilivalline (CAS 80279-24-9) is a chemical compound with molecular formula C20H19N3O2 and molecular weight 333.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS)-4-hydroxy-6-(1H-indol-3-yl)-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Also Known As: Epitilivalline, Tilivalline
| Molecular Formula | C20H19N3O2 |
|---|---|
| Molecular Weight | 333.15 g/mol |
| LogP | 3.6449 |
| Topological Polar Surface Area | 68.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 333.14774 |
| Heavy Atoms | 25 |
| Complexity | 977.98663 |
Chemical Identifiers
| CAS Number | 80279-24-9 |
|---|---|
| SMILES | C1C[C@H]2C(NC3=C(C=CC=C3O)C(=O)N2C1)C4=CNC5=CC=CC=C54 |
Product Overview
Epitilivalline (CAS 80279-24-9), with molecular formula C20H19N3O2 and molecular weight 333.15 g/mol. IUPAC: (6aS)-4-hydroxy-6-(1H-indol-3-yl)-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one.
Chemical Property Profile of Epitilivalline
Property Insights of Epitilivalline
The XLogP value of 3.6449 indicates that Epitilivalline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Epitilivalline. Following Lipinski's Rule of Five, Epitilivalline has 3 hydrogen bond donor(s) and 3 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 Epitilivalline?
The CAS number of Epitilivalline is 80279-24-9.
What is the molecular formula of Epitilivalline?
The molecular formula of Epitilivalline is C20H19N3O2.
What is the molecular weight of Epitilivalline?
The molecular weight of Epitilivalline is 333.15 g/mol.
Where can I buy Epitilivalline?
You can request a quote for Epitilivalline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epitilivalline?
Yes, KEHONG BIO provides custom synthesis services for Epitilivalline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.