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CAS 1196070-26-4 GSK2190915 (sodiuM salt) molecular structure lightbox
CAS RN: 1196070-26-4

GSK2190915 (sodiuM salt)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260120 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1196070-26-4
  • Purity/Analytical Methods: >99.0%
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1196070-26-4 / sodium 3-[3-tert-butylsulfanyl-1-[[4-(6-ethoxy-3-pyridinyl)phenyl]methyl]-5-[(5-methyl-2-pyridinyl)methoxy]indol-2-yl]-2,2-dimethylpropanoate

FIBOFLAPON SODIUM | AM803 sodium | Fiboflapon sodium [USAN]

Standard CAS: 1196070-26-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1196070-26-4
Multi CAS
Yes
Molecular Formula
C38H42N3NaO4S
Molecular Weight
659.800000
Exact Mass
659.279372
SMILES
CCOC1=NC=C(C=C1)C2=CC=C(C=C2)CN3C4=C(C=C(C=C4)OCC5=NC=C(C=C5)C)C(=C3CC(C)(C)C(=O)[O-])SC(C)(C)C.[Na+]
InChI
InChI=1S/C38H43N3O4S.Na/c1-8-44-34-18-14-28(22-40-34)27-12-10-26(11-13-27)23-41-32-17-16-30(45-24-29-15-9-25(2)21-39-29)19-31(32)35(46-37(3,4)5)33(41)20-38(6,7)36(42)43;/h9-19,21-22H,8,20,23-24H2,1-7H3,(H,42,43);/q;+1/p-1
InChIKey
NOJNFULGOQGBKB-UHFFFAOYSA-M
Synonyms
FIBOFLAPON SODIUM AM803 sodium Fiboflapon sodium [USAN] AM803 sodium salt UNII-75YS00XOG3

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
27
Fraction Csp3
0.34
Rotatable bonds
12
H-bond acceptors
8
Molar refractivity
183.29
TPSA
89.3

LogP / Solubility

WLOGP
4.65
MLOGP
4.14
XLogP3
4.65
Consensus LogP
4.48
Log S (ESOL)
-6.49
Class (ESOL)
Insoluble
Log S (Ali)
-8.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.24
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501

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