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CAS 290815-26-8 avosentan molecular structure lightbox
CAS RN: 290815-26-8

avosentan

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251207 5mg / 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS290815-26-8
  • Purity/Analytical Methods: >99.0%
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290815-26-8 / N-[6-methoxy-5-(2-methoxyphenoxy)-2-pyridin-4-ylpyrimidin-4-yl]-5-methylpyridine-2-sulfonamide

Standard CAS: 290815-26-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
290815-26-8
Multi CAS
Yes
Molecular Formula
C23H21N5O5S
Molecular Weight
479.500000
Exact Mass
479.126340
InChI
InChI=1S/C23H21N5O5S/c1-15-8-9-19(25-14-15)34(29,30)28-22-20(33-18-7-5-4-6-17(18)31-2)23(32-3)27-21(26-22)16-10-12-24-13-11-16/h4-14H,1-3H3,(H,26,27,28)
InChIKey
YBWLTKFZAOSWSM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
24
Fraction Csp3
0.13
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
1
Molar refractivity
124.67
TPSA
125.42

LogP / Solubility

WLOGP
3.85
MLOGP
3.42
XLogP3
3.1
Consensus LogP
3.46
Log S (ESOL)
-5.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.93
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)
-2.91

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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