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CAS 1532533-69-9 TGR-1202 (R-enantiomer) molecular structure lightbox
CAS RN: 1532533-69-9

TGR-1202 (R-enantiomer)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260421 2mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1532533-69-9
  • Purity/Analytical Methods: >99.0%
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1532533-69-9 / 2-[(1R)-1-[4-amino-3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-fluoro-3-(3-fluorophenyl)chromen-4-one

Standard CAS: 1532533-69-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1532533-69-9
Multi CAS
No
Molecular Formula
C31H24F3N5O3
Molecular Weight
571.500000
Exact Mass
571.183124
SMILES
C[C@H](C1=C(C(=O)C2=C(O1)C=CC(=C2)F)C3=CC(=CC=C3)F)N4C5=NC=NC(=C5C(=N4)C6=CC(=C(C=C6)OC(C)C)F)N
InChI
InChI=1S/C31H24F3N5O3/c1-15(2)41-24-9-7-18(12-22(24)34)27-26-30(35)36-14-37-31(26)39(38-27)16(3)29-25(17-5-4-6-19(32)11-17)28(40)21-13-20(33)8-10-23(21)42-29/h4-16H,1-3H3,(H2,35,36,37)/t16-/m1/s1
InChIKey
IUVCFHHAEHNCFT-MRXNPFEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
31
Fraction Csp3
0.16
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
1
Molar refractivity
152.54
TPSA
109.06

LogP / Solubility

WLOGP
6.66
MLOGP
5.91
XLogP3
5.8
Consensus LogP
6.12
Log S (ESOL)
-7.73
Class (ESOL)
Insoluble
Log S (Ali)
-9.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.63
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.48

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6

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