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CAS 612501-45-8 tert-butyl 4-((4-chloro-7-methoxyquinazolin-6-yl)oxy)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 612501-45-8

tert-butyl 4-((4-chloro-7-methoxyquinazolin-6-yl)oxy)piperidine-1-carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260409 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS612501-45-8
  • Purity/Analytical Methods: >99.0%
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612501-45-8 / tert-butyl 4-(4-chloro-7-methoxyquinazolin-6-yl)oxypiperidine-1-carboxylate

Standard CAS: 612501-45-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
612501-45-8
Multi CAS
No
Molecular Formula
C19H24CLN3O4
Molecular Weight
393.900000
Exact Mass
393.145534
InChI
InChI=1S/C19H24ClN3O4/c1-19(2,3)27-18(24)23-7-5-12(6-8-23)26-16-9-13-14(10-15(16)25-4)21-11-22-17(13)20/h9-12H,5-8H2,1-4H3
InChIKey
ZOBFOAWOTXARGS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
10
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
102.56
TPSA
73.78

LogP / Solubility

WLOGP
4.07
MLOGP
3.6
XLogP3
3.9
Consensus LogP
3.86
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.73
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.96
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
Yes
Log Kp (skin permeation)
-2.23

Drug-likeness / Medicinal Chemistry

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

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