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CAS 1243325-01-0 3-Cyclopropyl-3,4-Dihydroquinazolin-2(1H)-One(WXC02160) molecular structure lightbox
CAS RN: 1243325-01-0

3-Cyclopropyl-3,4-Dihydroquinazolin-2(1H)-One(WXC02160)

  • Product code: SSC-028237
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1243325-01-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

1243325-01-0 / 3-cyclopropyl-1,4-dihydroquinazolin-2-one

Standard CAS: 1243325-01-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1243325-01-0
Multi CAS
No
Molecular Formula
C11H12N2O
Molecular Weight
188.230000
Exact Mass
188.094963
SMILES
C1CC1N2CC3=CC=CC=C3NC2=O
InChI
InChI=1S/C11H12N2O/c14-11-12-10-4-2-1-3-8(10)7-13(11)9-5-6-9/h1-4,9H,5-7H2,(H,12,14)
InChIKey
OZAQDQUWIQFWLX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.03
TPSA
32.34

LogP / Solubility

WLOGP
2.2
MLOGP
1.93
XLogP3
1.2
Consensus LogP
1.78
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

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

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