![CAS 872047-63-7 benzo[d]oxazol-6-ylMethanaMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/872047-63-7.gif)
CAS RN: 872047-63-7
benzo[d]oxazol-6-ylMethanaMine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260310 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS872047-63-7
- Purity/Analytical Methods: >99.0%
872047-63-7 / 1,3-benzoxazol-6-ylmethanamine
Basic Information
CAS
872047-63-7
Multi CAS
No
Molecular Formula
C8H8N2O
Molecular Weight
148.160000
Exact Mass
148.063663
InChI
InChI=1S/C8H8N2O/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,4,9H2
InChIKey
IOKCGCQCJAGOCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.9
TPSA
52.05
LogP / Solubility
WLOGP
1.29
MLOGP
1.13
XLogP3
0.4
Consensus LogP
0.94
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
7-chloro-5-(Methylthio)iMidazo[1,2-c]pyriMidine
- CAS RN: 872059-27-3
- Product Code: SSC-196918
-
(6-CHLOROPYRIDIN-3-YL)-CYCLOPROPYL-METHANONE
- CAS RN: 872088-06-7
- Product Code: SSC-196920
-
-
4-CHLORO-3-CYANOMETHYL-BENZOIC ACID METHYL ESTER
- CAS RN: 872091-83-3
- Product Code: SSC-196922
![CAS 872059-27-3 7-chloro-5-(Methylthio)iMidazo[1,2-c]pyriMidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/872059-27-3.gif)
