CAS RN: 792173-99-0
N-(2-METHYL-6-BENZOOXAZOLYL)-N”-1,5-NAPHTHYRIDIN-4-YL UREA
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4 package records2 with current stock1 grade group
- Product code: starshine_CAS792173-99-0
- Purity/Analytical Methods: >99.0%
792173-99-0 / 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
Basic Information
CAS
792173-99-0
Multi CAS
Yes
Molecular Formula
C17H13N5O2
Molecular Weight
319.320000
Exact Mass
319.106925
InChI
InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)
InChIKey
AKMNUCBQGHFICM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
19
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
90.93
TPSA
92.94
LogP / Solubility
WLOGP
3.72
MLOGP
3.29
XLogP3
2
Consensus LogP
3
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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