Voxergolide
TL;DR: Voxergolide (CAS 89651-00-3) is a chemical compound with molecular formula C16H20N2OS and molecular weight 288.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4R,7R)-6-methyl-4-(methylsulfanylmethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
Also Known As: Voxergolide, Voxergolide [INN], voxergolida, voxergolidum, (+-)-(6aR,9R,10aR)-4,6a,7,8,9,10a-Hexahydro-7-methyl-9-((methylthio)methyl)-6H-indolo(3,4-gh)(1,4)benzoxazine
| Molecular Formula | C16H20N2OS |
|---|---|
| Molecular Weight | 288.13 g/mol |
| LogP | 2.8273 |
| Topological Polar Surface Area | 28.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.12964 |
| Heavy Atoms | 20 |
| Complexity | 638.4386 |
Chemical Identifiers
| CAS Number | 89651-00-3 |
|---|---|
| SMILES | CN1C[C@@H](O[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CSC |
Product Overview
Voxergolide (CAS 89651-00-3), with molecular formula C16H20N2OS and molecular weight 288.13 g/mol. IUPAC: (2R,4R,7R)-6-methyl-4-(methylsulfanylmethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene.
Chemical Property Profile of Voxergolide
Property Insights of Voxergolide
The XLogP value of 2.8273 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Voxergolide. With a topological polar surface area (TPSA) of 28.26 Ų, Voxergolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Voxergolide has 1 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 Voxergolide?
The CAS number of Voxergolide is 89651-00-3.
What is the molecular formula of Voxergolide?
The molecular formula of Voxergolide is C16H20N2OS.
What is the molecular weight of Voxergolide?
The molecular weight of Voxergolide is 288.13 g/mol.
Where can I buy Voxergolide?
You can request a quote for Voxergolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Voxergolide?
Yes, KEHONG BIO provides custom synthesis services for Voxergolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.