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CAS 1429755-58-7 Tucatinib N-1 molecular structure lightbox
CAS RN: 1429755-58-7

Tucatinib N-1

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260117 200mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1429755-58-7
  • Purity/Analytical Methods: >99.0%
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1429755-58-7 / 1-(1-hydroxy-2-methylpropan-2-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]thiourea

Standard CAS: 1429755-58-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1429755-58-7
Multi CAS
No
Molecular Formula
C26H26N8O2S
Molecular Weight
514.600000
Exact Mass
514.189943
SMILES
CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=S)NC(C)(C)CO)OC4=CC5=NC=NN5C=C4
InChI
InChI=1S/C26H26N8O2S/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25(37)33-26(2,3)13-35/h4-12,14-15,35H,13H2,1-3H3,(H,27,29,31)(H2,32,33,37)
InChIKey
HZCZAJGNAXZBTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
25
Fraction Csp3
0.19
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
4
Molar refractivity
147.58
TPSA
121.52

LogP / Solubility

WLOGP
4.57
MLOGP
4.06
XLogP3
3.7
Consensus LogP
4.11
Log S (ESOL)
-5.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.64
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

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