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CAS 491577-61-8 N-hydroxy-4-((5-(4-(5-isopropyl-2-methylthiazol-4-yl)phenoxy)pentyl)oxy)benzimidamide(WXG01597) molecular structure lightbox
CAS RN: 491577-61-8

N-hydroxy-4-((5-(4-(5-isopropyl-2-methylthiazol-4-yl)phenoxy)pentyl)oxy)benzimidamide(WXG01597)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250128 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS491577-61-8
  • Purity/Analytical Methods: >99.0%
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491577-61-8 / N'-hydroxy-4-[5-[4-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide

Standard CAS: 491577-61-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
491577-61-8
Multi CAS
Yes
Molecular Formula
C25H31N3O3S
Molecular Weight
453.600000
Exact Mass
453.208613
InChI
InChI=1S/C25H31N3O3S/c1-17(2)24-23(27-18(3)32-24)19-7-11-21(12-8-19)30-15-5-4-6-16-31-22-13-9-20(10-14-22)25(26)28-29/h7-14,17,29H,4-6,15-16H2,1-3H3,(H2,26,28)
InChIKey
JDXVNCOKDAGOAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
17
Fraction Csp3
0.36
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
2
Molar refractivity
130.17
TPSA
89.96

LogP / Solubility

WLOGP
5.96
MLOGP
5.28
XLogP3
6
Consensus LogP
5.75
Log S (ESOL)
-6.08
Class (ESOL)
Insoluble
Log S (Ali)
-7.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.88
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.25

Drug-likeness / Medicinal Chemistry

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

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