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CAS 2059148-82-0 IMP-1088 molecular structure lightbox
CAS RN: 2059148-82-0

IMP-1088

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260626 10mg In stock Shanghai Inquiry
Batchno.20260630 25mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS2059148-82-0
  • Purity/Analytical Methods: >99.0%
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2059148-82-0 / 1-[5-[3,4-difluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methylindazol-3-yl]-N,N-dimethylmethanamine

Standard CAS: 2059148-82-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2059148-82-0
Multi CAS
No
Molecular Formula
C25H29F2N5O
Molecular Weight
453.500000
Exact Mass
453.234017
SMILES
CC1=C(C(=NN1C)C)CCOC2=C(C=CC(=C2F)F)C3=CC4=C(C=C3)N(N=C4CN(C)C)C
InChI
InChI=1S/C25H29F2N5O/c1-15-18(16(2)31(5)28-15)11-12-33-25-19(8-9-21(26)24(25)27)17-7-10-23-20(13-17)22(14-30(3)4)29-32(23)6/h7-10,13H,11-12,14H2,1-6H3
InChIKey
SOXNKJCQBRQUMS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
20
Fraction Csp3
0.36
Rotatable bonds
7
H-bond acceptors
6
Molar refractivity
125.34
TPSA
48.11

LogP / Solubility

WLOGP
4.55
MLOGP
4.04
XLogP3
4.3
Consensus LogP
4.3
Log S (ESOL)
-5.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.23
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)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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