![CAS 1363210-25-6 (4,5,6,7-Tetrahydrobenzo[C]Isoxazol-3-Yl)Methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1363210-25-6.gif)
CAS RN: 1363210-25-6
(4,5,6,7-Tetrahydrobenzo[C]Isoxazol-3-Yl)Methanol
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.20250925 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1363210-25-6
- Purity/Analytical Methods: >99.0%
1363210-25-6 / 4,5,6,7-tetrahydro-2,1-benzoxazol-3-ylmethanol
Basic Information
CAS
1363210-25-6
Multi CAS
No
Molecular Formula
C8H11NO2
Molecular Weight
153.180000
Exact Mass
153.078979
SMILES
C1CCC2=NOC(=C2C1)CO
InChI
InChI=1S/C8H11NO2/c10-5-8-6-3-1-2-4-7(6)9-11-8/h10H,1-5H2
InChIKey
ATQYGVCVGUFDOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.07
TPSA
46.26
LogP / Solubility
WLOGP
1.05
MLOGP
0.91
XLogP3
0.7
Consensus LogP
0.89
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
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)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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