[email protected]
CAS 106466-66-4 rankinidine molecular structure lightbox
CAS RN: 106466-66-4

rankinidine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250708 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS106466-66-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

106466-66-4 / (1R,2S,4S,7Z,8R,9S)-7-ethylidene-1'-methoxyspiro[11-oxa-5-azatricyclo[6.3.1.04,9]dodecane-2,3'-indole]-2'-one

Standard CAS: 106466-66-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106466-66-4
Multi CAS
Yes
Molecular Formula
C20H24N2O3
Molecular Weight
340.400000
Exact Mass
340.178693
SMILES
C/C=C/1\CN[C@H]2C[C@@]3([C@H]4C[C@@H]1[C@@H]2CO4)C5=CC=CC=C5N(C3=O)OC
InChI
InChI=1S/C20H24N2O3/c1-3-12-10-21-16-9-20(18-8-13(12)14(16)11-25-18)15-6-4-5-7-17(15)22(24-2)19(20)23/h3-7,13-14,16,18,21H,8-11H2,1-2H3/b12-3+
InChIKey
ZXRGGMATGWCUBP-KGVSQERTSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
94.12
TPSA
50.8

LogP / Solubility

WLOGP
2.18
MLOGP
1.93
XLogP3
1.3
Consensus LogP
1.8
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us