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CAS 1000578-10-8 METHYL 4-OXO-3,4-DIHYDROQUINAZOLINE-8-CARBOXYLATE molecular structure lightbox
CAS RN: 1000578-10-8

METHYL 4-OXO-3,4-DIHYDROQUINAZOLINE-8-CARBOXYLATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250511 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1000578-10-8
  • Purity/Analytical Methods: >99.0%
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1000578-10-8 / methyl 4-oxo-3H-quinazoline-8-carboxylate

Standard CAS: 1000578-10-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1000578-10-8
Multi CAS
Yes
Molecular Formula
C10H8N2O3
Molecular Weight
204.180000
Exact Mass
204.053492
SMILES
COC(=O)C1=CC=CC2=C1N=CNC2=O
InChI
InChI=1S/C10H8N2O3/c1-15-10(14)7-4-2-3-6-8(7)11-5-12-9(6)13/h2-5H,1H3,(H,11,12,13)
InChIKey
FOIQBHSPCYEVGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.7
TPSA
72.05

LogP / Solubility

WLOGP
0.71
MLOGP
0.63
XLogP3
0.6
Consensus LogP
0.65
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
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)
-3.46

Drug-likeness / Medicinal Chemistry

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

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