Tilivalline
TL;DR: Tilivalline (CAS 84573-10-4) 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.
(6S,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: Tilivalline, Epitilivalline, 3-Dehydrolithocholylglycine, KST-1A8536, EX-A12351
| Molecular Formula | C20H19N3O2 |
|---|---|
| Molecular Weight | 333.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 333.14774 |
| Heavy Atoms | 25 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 84573-10-4 |
|---|---|
| SMILES | C1C[C@H]2[C@@H](NC3=C(C=CC=C3O)C(=O)N2C1)C4=CNC5=CC=CC=C54 |
| InChIKey | AJZNARCWDDMOPL-WMZOPIPTSA-N |
Product Overview
Tilivalline (CAS 84573-10-4), with molecular formula C20H19N3O2 and molecular weight 333.15 g/mol. IUPAC: (6S,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 Tilivalline
Property Insights of Tilivalline
The XLogP value of 3.0 indicates that Tilivalline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Tilivalline. Following Lipinski's Rule of Five, Tilivalline 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 Tilivalline?
The CAS number of Tilivalline is 84573-10-4.
What is the molecular formula of Tilivalline?
The molecular formula of Tilivalline is C20H19N3O2.
What is the molecular weight of Tilivalline?
The molecular weight of Tilivalline is 333.15 g/mol.
Where can I buy Tilivalline?
You can request a quote for Tilivalline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tilivalline?
Yes, KEHONG BIO provides custom synthesis services for Tilivalline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.