CAS RN: 1628925-77-8
GSK3368715 dihydrochloride
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.20251106 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1628925-77-8
- Purity/Analytical Methods: >99.0%
1628925-77-8 / N'-[[5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine;dihydrochloride
Basic Information
CAS
1628925-77-8
Multi CAS
No
Molecular Formula
C20H40Cl2N4O2
Molecular Weight
439.500000
Exact Mass
438.252832
SMILES
CCOCC1(CCC(CC1)C2=C(C=NN2)CN(C)CCNC)COCC.Cl.Cl
InChI
InChI=1S/C20H38N4O2.2ClH/c1-5-25-15-20(16-26-6-2)9-7-17(8-10-20)19-18(13-22-23-19)14-24(4)12-11-21-3;;/h13,17,21H,5-12,14-16H2,1-4H3,(H,22,23);2*1H
InChIKey
HPSRPMOJFMXEKS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
5
Fraction Csp3
0.85
Rotatable bonds
12
H-bond acceptors
5
H-bond donors
2
Molar refractivity
119.97
TPSA
62.41
LogP / Solubility
WLOGP
3.62
MLOGP
3.22
XLogP3
3.62
Consensus LogP
3.49
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.96
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-2.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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