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CAS 509088-69-1 KRP-203 molecular structure lightbox
CAS RN: 509088-69-1

KRP-203

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250421 5mg / 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS509088-69-1
  • Purity/Analytical Methods: >99.0%
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509088-69-1 / 2-amino-2-[2-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]ethyl]propane-1,3-diol;hydrochloride

Standard CAS: 509088-69-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
509088-69-1
Multi CAS
Yes
Molecular Formula
C24H27CL2NO3S
Molecular Weight
480.400000
Exact Mass
479.108870
InChI
InChI=1S/C24H26ClNO3S.ClH/c25-23-14-22(10-9-19(23)11-12-24(26,16-27)17-28)30-21-8-4-7-20(13-21)29-15-18-5-2-1-3-6-18;/h1-10,13-14,27-28H,11-12,15-17,26H2;1H
InChIKey
MYIFLDFUXIHOCJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.25
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
3
Molar refractivity
129.45
TPSA
75.71

LogP / Solubility

WLOGP
5.11
MLOGP
4.53
XLogP3
5.11
Consensus LogP
4.92
Log S (ESOL)
-5.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.22
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.03

Drug-likeness / Medicinal Chemistry

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

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