![CAS 313645-14-6 5-amino-2-(6-methylbenzo[d]oxazol-2-yl)phenol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/313645-14-6.gif)
CAS RN: 313645-14-6
5-amino-2-(6-methylbenzo[d]oxazol-2-yl)phenol
Product Availability
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3 package records0 with current stock2 grade groups
- Product code: starshine_CAS313645-14-6
- Purity/Analytical Methods: >99.0%
313645-14-6 / 5-amino-2-(6-methyl-1,3-benzoxazol-2-yl)phenol
Basic Information
CAS
313645-14-6
Multi CAS
No
Molecular Formula
C14H12N2O2
Molecular Weight
240.260000
Exact Mass
240.089878
InChI
InChI=1S/C14H12N2O2/c1-8-2-5-11-13(6-8)18-14(16-11)10-4-3-9(15)7-12(10)17/h2-7,17H,15H2,1H3
InChIKey
WCLVOVYJAPLNEZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
70.26
TPSA
72.28
LogP / Solubility
WLOGP
3.09
MLOGP
2.72
XLogP3
2.8
Consensus LogP
2.87
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
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)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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