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CAS 70381-75-8 Ethyl 5,6-dichloro-3,4-dihydro-2(1H)-iminoquinazoline-3-acetate hydrobromide molecular structure lightbox
CAS RN: 70381-75-8

Ethyl 5,6-dichloro-3,4-dihydro-2(1H)-iminoquinazoline-3-acetate hydrobromide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250605 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS70381-75-8
  • Purity/Analytical Methods: >99.0%
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70381-75-8 / ethyl 2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetate;hydrobromide

Standard CAS: 70381-75-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70381-75-8
Multi CAS
Yes
Molecular Formula
C12H14BRCL2N3O2
Molecular Weight
383.070000
Exact Mass
380.964640
InChI
InChI=1S/C12H13Cl2N3O2.BrH/c1-2-19-10(18)6-17-5-7-9(16-12(17)15)4-3-8(13)11(7)14;/h3-4H,2,5-6H2,1H3,(H2,15,16);1H
InChIKey
UIACKXKZPDPMBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
85.11
TPSA
67.92

LogP / Solubility

WLOGP
2.9
MLOGP
2.57
XLogP3
2.9
Consensus LogP
2.79
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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