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CAS 267639-76-9 Romiplostim molecular structure lightbox
CAS RN: 267639-76-9

Romiplostim

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  • Product code: starshine_CAS267639-76-9
  • Purity/Analytical Methods: >99.0%
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267639-76-9 / 3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one

Standard CAS: 267639-76-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
267639-76-9
Multi CAS
Yes
Molecular Formula
C15H14N2O
Molecular Weight
238.280000
Exact Mass
238.110613
InChI
InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)
InChIKey
WUWDLXZGHZSWQZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.13
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
73.21
TPSA
44.89

LogP / Solubility

WLOGP
3.12
MLOGP
2.75
XLogP3
2.5
Consensus LogP
2.79
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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