CAS RN: 1047635-80-2
GSK2141795 (hydrochloride)
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.20250913 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1047635-80-2
- Purity/Analytical Methods: >99.0%
1047635-80-2 / N-[(2S)-1-amino-3-(3,4-difluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)furan-2-carboxamide;hydrochloride
Uprosertib hydrochloride | GSK2141795 (hydrochloride) | UNII-50IE5H22B2
Basic Information
CAS
1047635-80-2
Multi CAS
Yes
Molecular Formula
C18H17Cl3F2N4O2
Molecular Weight
465.700000
Exact Mass
464.038515
SMILES
CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)N[C@@H](CC3=CC(=C(C=C3)F)F)CN)Cl.Cl
InChI
InChI=1S/C18H16Cl2F2N4O2.ClH/c1-26-16(12(19)8-24-26)11-6-15(28-17(11)20)18(27)25-10(7-23)4-9-2-3-13(21)14(22)5-9;/h2-3,5-6,8,10H,4,7,23H2,1H3,(H,25,27);1H/t10-;/m0./s1
InChIKey
LAPFKCIDRPWAFU-PPHPATTJSA-N
Synonyms
Uprosertib hydrochloride
GSK2141795 (hydrochloride)
UNII-50IE5H22B2
50IE5H22B2
2-Furancarboxamide, N-((1S)-2-amino-1-((3,4-difluorophenyl)methyl)ethyl)-5-chloro-4-(4-chloro-1-methyl-1H-pyrazol-5-yl)-, hydrochloride (1:1)
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
108.55
TPSA
86.08
LogP / Solubility
WLOGP
3.99
MLOGP
3.54
XLogP3
3.99
Consensus LogP
3.84
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.72
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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