CAS RN: 1261491-89-7

Olumacostat Glasaretil

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  • Product code: starshine_CAS1261491-89-7
  • Purity/Analytical Methods: >99.0%
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1261491-89-7 / [2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethyl] 5-tetradecoxyfuran-2-carboxylate

Standard CAS: 1261491-89-7 Multi CAS: No

Basic Information

CAS
1261491-89-7
Multi CAS
No
Molecular Formula
C26H43NO7
Molecular Weight
481.600000
Exact Mass
481.303953
SMILES
CCCCCCCCCCCCCCOC1=CC=C(O1)C(=O)OCC(=O)N(C)CC(=O)OCC
InChI
InChI=1S/C26H43NO7/c1-4-6-7-8-9-10-11-12-13-14-15-16-19-32-25-18-17-22(34-25)26(30)33-21-23(28)27(3)20-24(29)31-5-2/h17-18H,4-16,19-21H2,1-3H3
InChIKey
FYJLDICZGDFWKP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
5
Fraction Csp3
0.73
Rotatable bonds
20
H-bond acceptors
7
Molar refractivity
129.83
TPSA
95.28

LogP / Solubility

WLOGP
5.54
MLOGP
4.91
XLogP3
8
Consensus LogP
6.15
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.79
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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