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CAS 1903008-80-9 Lazertinib molecular structure lightbox
CAS RN: 1903008-80-9

Lazertinib

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251023 5mg / 25mg / 100mg / 250mg Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: starshine_CAS1903008-80-9
  • Purity/Analytical Methods: >99.0%
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1903008-80-9 / N-[5-[[4-[4-[(dimethylamino)methyl]-3-phenylpyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxy-2-morpholin-4-ylphenyl]prop-2-enamide

Standard CAS: 1903008-80-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1903008-80-9
Multi CAS
No
Molecular Formula
C30H34N8O3
Molecular Weight
554.600000
Exact Mass
554.275387
SMILES
CN(C)CC1=CN(N=C1C2=CC=CC=C2)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N5CCOCC5)OC
InChI
InChI=1S/C30H34N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h5-12,17-18,20H,1,13-16,19H2,2-4H3,(H,32,39)(H,31,33,34)
InChIKey
RRMJMHOQSALEJJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
23
Fraction Csp3
0.27
Rotatable bonds
10
H-bond acceptors
10
H-bond donors
2
Molar refractivity
160.12
TPSA
109.67

LogP / Solubility

WLOGP
4.1
MLOGP
3.65
XLogP3
3.4
Consensus LogP
3.72
Log S (ESOL)
-5.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.87
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.19

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

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P260, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P319, P321, P330, P333+P317, P362+P364, P405, and P501

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