[email protected]
CAS 1429755-56-5 Tucatinib (hemiethanolate) molecular structure lightbox
CAS RN: 1429755-56-5

Tucatinib (hemiethanolate)

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250407 10g In stock Shanghai Inquiry
Batchno.20250918 1g In stock Shanghai Inquiry
Batchno.20251105 250mg In stock Shanghai Inquiry
Batchno.20260413 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS1429755-56-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1429755-56-5 / bis(6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,6-diamine);ethanol

Standard CAS: 1429755-56-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1429755-56-5
Multi CAS
No
Molecular Formula
C54H54N16O5
Molecular Weight
1007.100000
Exact Mass
1006.446309
SMILES
CCO.CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC4=NC(CO4)(C)C)OC5=CC6=NC=NN6C=C5.CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC4=NC(CO4)(C)C)OC5=CC6=NC=NN6C=C5
InChI
InChI=1S/2C26H24N8O2.C2H6O/c2*1-16-10-17(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)32-25-33-26(2,3)13-35-25;1-2-3/h2*4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31);3H,2H2,1H3
InChIKey
UGAFQGGOUGJBMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
75
Aromatic heavy atom count
50
Fraction Csp3
0.22
Rotatable bonds
10
H-bond acceptors
21
H-bond donors
5
Molar refractivity
289.06
TPSA
241.93

LogP / Solubility

WLOGP
10.19
MLOGP
9.06
XLogP3
10.19
Consensus LogP
9.81
Log S (ESOL)
-12.33
Class (ESOL)
Insoluble
Log S (Ali)
-15.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.86
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.63

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
H360Df (100%): May damage the unborn child; Suspected of damaging fertility [Danger Reproductive toxicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us