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CAS 475638-35-8 2,3-DIMETHOXY-7,8,9,10-TETRAHYDROAZEPINO[2,1-B]QUINAZOLIN-12(6H)-ONE molecular structure lightbox
CAS RN: 475638-35-8

2,3-DIMETHOXY-7,8,9,10-TETRAHYDROAZEPINO[2,1-B]QUINAZOLIN-12(6H)-ONE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260119 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS475638-35-8
  • Purity/Analytical Methods: >99.0%
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475638-35-8 / 2,3-dimethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one

Standard CAS: 475638-35-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
475638-35-8
Multi CAS
No
Molecular Formula
C15H18N2O3
Molecular Weight
274.310000
Exact Mass
274.131742
InChI
InChI=1S/C15H18N2O3/c1-19-12-8-10-11(9-13(12)20-2)16-14-6-4-3-5-7-17(14)15(10)18/h8-9H,3-7H2,1-2H3
InChIKey
XDUNCLSLEFOXHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.47
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
76.66
TPSA
53.35

LogP / Solubility

WLOGP
2.14
MLOGP
1.89
XLogP3
1.6
Consensus LogP
1.88
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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