CAS RN: 2121989-91-9
GSK2850163
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250821 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2121989-91-9
- Purity/Analytical Methods: >99.0%
2121989-91-9 / (5R)-2-[(3,4-dichlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
Basic Information
CAS
2121989-91-9
Multi CAS
No
Molecular Formula
C24H29Cl2N3O
Molecular Weight
446.400000
Exact Mass
445.168768
SMILES
CC1=CC=C(C=C1)CNC(=O)N2CCC[C@@]3(C2)CCN(C3)CC4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H29Cl2N3O/c1-18-3-5-19(6-4-18)14-27-23(30)29-11-2-9-24(17-29)10-12-28(16-24)15-20-7-8-21(25)22(26)13-20/h3-8,13H,2,9-12,14-17H2,1H3,(H,27,30)/t24-/m1/s1
InChIKey
YFDASBFQKMHSSJ-XMMPIXPASA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
123.01
TPSA
35.58
LogP / Solubility
WLOGP
5.5
MLOGP
4.87
XLogP3
4.9
Consensus LogP
5.09
Log S (ESOL)
-6.1
Class (ESOL)
Insoluble
Log S (Ali)
-7.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.61
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
Safety & Transport
GHS Hazard Statements
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501
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