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CAS 153436-53-4 Tyrphostin AG 1478 molecular structure lightbox
CAS RN: 153436-53-4

Tyrphostin AG 1478

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9 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260125 10mg / 50mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
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Batchno.20260304 10mg In stock Inquiry
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Batchno.20250505 10mg In stock Shanghai Inquiry
Batchno.20260517 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20251128 50mg In stock Shanghai, Wuhan Inquiry
Batchno.20251226 5mg In stock Shanghai, Wuhan Inquiry
  • Product code: ICTT2944
  • Purity/Analytical Methods: >98.0%(HPLC)
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153436-53-4 / N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine

Standard CAS: 153436-53-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
153436-53-4
Multi CAS
No
Molecular Formula
C16H14ClN3O2
Molecular Weight
315.750000
Exact Mass
315.077454
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC
InChI
InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
InChIKey
GFNNBHLJANVSQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
87.38
TPSA
56.27

LogP / Solubility

WLOGP
4.04
MLOGP
3.57
XLogP3
4
Consensus LogP
3.87
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-1.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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