CAS RN: 474710-78-6

Methyl 6-broMoquinazoline-4-carboxylate

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Batchno.20250530 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS474710-78-6
  • Purity/Analytical Methods: >99.0%
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474710-78-6 / methyl 6-bromoquinazoline-4-carboxylate

Standard CAS: 474710-78-6 Multi CAS: No

Basic Information

CAS
474710-78-6
Multi CAS
No
Molecular Formula
BC10H7O2Rn2
Molecular Weight
267.080000
Exact Mass
265.969090
InChI
InChI=1S/C10H7BrN2O2/c1-15-10(14)9-7-4-6(11)2-3-8(7)12-5-13-9/h2-5H,1H3
InChIKey
AEWGSIACZRIQON-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
Molar refractivity
58.58
TPSA
52.08

LogP / Solubility

WLOGP
2.18
MLOGP
1.93
XLogP3
2.4
Consensus LogP
2.17
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.8

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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