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CAS 335417-99-7 3-Ethyl-6,7-dimethoxyquinazoline-2,4(1H,3H)-dione molecular structure lightbox
CAS RN: 335417-99-7

3-Ethyl-6,7-dimethoxyquinazoline-2,4(1H,3H)-dione

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250327 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS335417-99-7
  • Purity/Analytical Methods: >99.0%
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335417-99-7 / 3-ethyl-6,7-dimethoxy-1H-quinazoline-2,4-dione

Standard CAS: 335417-99-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
335417-99-7
Multi CAS
Yes
Molecular Formula
C12H14N2O4
Molecular Weight
250.250000
Exact Mass
250.095357
InChI
InChI=1S/C12H14N2O4/c1-4-14-11(15)7-5-9(17-2)10(18-3)6-8(7)13-12(14)16/h5-6H,4H2,1-3H3,(H,13,16)
InChIKey
ITBJEGNEBGZKEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
67.61
TPSA
73.32

LogP / Solubility

WLOGP
0.73
MLOGP
0.65
XLogP3
0.9
Consensus LogP
0.76
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-3.73

Drug-likeness / Medicinal Chemistry

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

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