Sergolexole
TL;DR: Sergolexole (CAS 108674-86-8) is a chemical compound with molecular formula C26H36N2O3 and molecular weight 424.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxycyclohexyl) (6aR,9R,10aR)-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate
Also Known As: Sergolexole, Sergolexol, Sergolexole [INN], PDSP1_000757, PDSP2_000745
| Molecular Formula | C26H36N2O3 |
|---|---|
| Molecular Weight | 424.27 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.27258 |
| Heavy Atoms | 31 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 108674-86-8 |
|---|---|
| SMILES | CC(C)N1C=C2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)OC4CCC(CC4)OC)C5=C2C1=CC=C5 |
| InChIKey | RJBJIKXTJIZONR-FTNAIZGWSA-N |
Product Overview
Sergolexole (CAS 108674-86-8), with molecular formula C26H36N2O3 and molecular weight 424.27 g/mol. IUPAC: (4-methoxycyclohexyl) (6aR,9R,10aR)-7-methyl-4-propan-2-yl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylate.
Chemical Property Profile of Sergolexole
Property Insights of Sergolexole
The XLogP value of 4.1 indicates that Sergolexole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.7 Ų, Sergolexole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sergolexole has 0 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 Sergolexole?
The CAS number of Sergolexole is 108674-86-8.
What is the molecular formula of Sergolexole?
The molecular formula of Sergolexole is C26H36N2O3.
What is the molecular weight of Sergolexole?
The molecular weight of Sergolexole is 424.27 g/mol.
Where can I buy Sergolexole?
You can request a quote for Sergolexole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sergolexole?
Yes, KEHONG BIO provides custom synthesis services for Sergolexole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.