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CAS 922139-31-9 Recilisib sodium molecular structure lightbox
CAS RN: 922139-31-9

Recilisib sodium

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250405 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS922139-31-9
  • Purity/Analytical Methods: >99.0%
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922139-31-9 / sodium 4-[(E)-2-[(4-chlorophenyl)methylsulfonyl]ethenyl]benzoate

Standard CAS: 922139-31-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
922139-31-9
Multi CAS
Yes
Molecular Formula
C16H12CLNAO4S
Molecular Weight
358.800000
Exact Mass
358.004252
InChI
InChI=1S/C16H13ClO4S.Na/c17-15-7-3-13(4-8-15)11-22(20,21)10-9-12-1-5-14(6-2-12)16(18)19;/h1-10H,11H2,(H,18,19);/q;+1/p-1/b10-9+;
InChIKey
PRFBWBYKWZVQJF-RRABGKBLSA-M

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
83.88
TPSA
74.27

LogP / Solubility

WLOGP
-0.71
MLOGP
-0.6
XLogP3
-0.71
Consensus LogP
-0.67
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.41

Drug-likeness / Medicinal Chemistry

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

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