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CAS 364762-86-7 TD-198946 molecular structure lightbox
CAS RN: 364762-86-7

TD-198946

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260427 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS364762-86-7
  • Purity/Analytical Methods: >99.0%
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364762-86-7 / 1-methyl-8-[4-(quinolin-2-ylmethoxy)phenoxy]-4,5-dihydrothieno[3,4-g]indazole-6-carboxamide

Standard CAS: 364762-86-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
364762-86-7
Multi CAS
No
Molecular Formula
C27H22N4O3S
Molecular Weight
482.600000
Exact Mass
482.141262
InChI
InChI=1S/C27H22N4O3S/c1-31-24-17(14-29-31)7-13-21-23(24)27(35-25(21)26(28)32)34-20-11-9-19(10-12-20)33-15-18-8-6-16-4-2-3-5-22(16)30-18/h2-6,8-12,14H,7,13,15H2,1H3,(H2,28,32)
InChIKey
QGAMAWMLTUNPAB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
26
Fraction Csp3
0.15
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
135.04
TPSA
92.26

LogP / Solubility

WLOGP
5.27
MLOGP
4.67
XLogP3
4.7
Consensus LogP
4.88
Log S (ESOL)
-6.3
Class (ESOL)
Insoluble
Log S (Ali)
-7.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.89
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-1.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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