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CAS 1134307-50-8 1-(4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl)butan-1-one hydrochloride molecular structure lightbox
CAS RN: 1134307-50-8

1-(4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl)butan-1-one hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260131 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1134307-50-8
  • Purity/Analytical Methods: >99.0%
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1134307-50-8 / 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]butan-1-one;hydrochloride

1-(4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl)butan-1-one hydrochloride | MFCD02675824 | 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]butan-1-one hydrochloride

Standard CAS: 1134307-50-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1134307-50-8
Multi CAS
No
Molecular Formula
C18H26ClN5O3
Molecular Weight
395.900000
Exact Mass
395.172417
SMILES
CCCC(=O)N1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC.Cl
InChI
InChI=1S/C18H25N5O3.ClH/c1-4-5-16(24)22-6-8-23(9-7-22)18-20-13-11-15(26-3)14(25-2)10-12(13)17(19)21-18;/h10-11H,4-9H2,1-3H3,(H2,19,20,21);1H
InChIKey
ILMXXDLVWZUOJT-UHFFFAOYSA-N
Synonyms
1-(4-(4-Amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl)butan-1-one hydrochloride MFCD02675824 1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]butan-1-one hydrochloride C18H26ClN5O3 AKOS024327164

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
108
TPSA
93.81

LogP / Solubility

WLOGP
2.1
MLOGP
1.87
XLogP3
2.1
Consensus LogP
2.02
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.64

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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