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CAS 1152107-25-9 Cyclopentanepropanoic acid, α-[(forMylhydroxyaMino)Methyl]-, 2-[5-fluoro-6-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-Methyl-4-pyriMidinyl]hydrazide, (αR)- molecular structure lightbox
CAS RN: 1152107-25-9

Cyclopentanepropanoic acid, α-[(forMylhydroxyaMino)Methyl]-, 2-[5-fluoro-6-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-Methyl-4-pyriMidinyl]hydrazide, (αR)-

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Batchno.20251124 1mg / 2mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1152107-25-9
  • Purity/Analytical Methods: >99.0%
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1152107-25-9 / N-[(2R)-3-[2-[6-[(9aS)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide

Lanopepden | GSK-1322322 | GSK-322

Standard CAS: 1152107-25-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1152107-25-9
Multi CAS
Yes
Molecular Formula
C22H34FN7O4
Molecular Weight
479.500000
Exact Mass
479.265631
SMILES
CC1=NC(=C(C(=N1)N2CCN3CCOC[C@@H]3C2)F)NNC(=O)[C@H](CC4CCCC4)CN(C=O)O
InChI
InChI=1S/C22H34FN7O4/c1-15-24-20(19(23)21(25-15)29-7-6-28-8-9-34-13-18(28)12-29)26-27-22(32)17(11-30(33)14-31)10-16-4-2-3-5-16/h14,16-18,33H,2-13H2,1H3,(H,27,32)(H,24,25,26)/t17-,18+/m1/s1
InChIKey
SWHNZGMQMGFQGW-MSOLQXFVSA-N
Synonyms
Lanopepden GSK-1322322 GSK-322 GSK1322322 Lanopepdene

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
3
Molar refractivity
121.51
TPSA
123.16

LogP / Solubility

WLOGP
0.93
MLOGP
0.85
XLogP3
2
Consensus LogP
1.26
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P260, P319, and P501

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