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CAS 473921-12-9 Lersivirine(UK 453061) molecular structure lightbox
CAS RN: 473921-12-9

Lersivirine(UK 453061)

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250311 5mg / 25mg / 100mg / 500mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260511 100mg Out of stock Inquiry
Batchno.20251202 250mg Out of stock Inquiry
Batchno.20260427 25mg In stock Shanghai Inquiry
Batchno.20260410 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS473921-12-9
  • Purity/Analytical Methods: >99.0%
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473921-12-9 / 5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile

Standard CAS: 473921-12-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
473921-12-9
Multi CAS
Yes
Molecular Formula
C17H18N4O2
Molecular Weight
310.350000
Exact Mass
310.142976
InChI
InChI=1S/C17H18N4O2/c1-3-15-17(16(4-2)21(20-15)5-6-22)23-14-8-12(10-18)7-13(9-14)11-19/h7-9,22H,3-6H2,1-2H3
InChIKey
MCPUZZJBAHRIPO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
84.01
TPSA
94.86

LogP / Solubility

WLOGP
2.54
MLOGP
2.24
XLogP3
2.1
Consensus LogP
2.29
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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