CAS RN: 1823914-49-3
(5-methyl-3-(pyridin-2-yl)-4,5-dihydroisoxazol-5-yl)methanol
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260306 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM927222
1823914-49-3 / (5-methyl-3-pyridin-2-yl-4H-1,2-oxazol-5-yl)methanol
Basic Information
CAS
1823914-49-3
Multi CAS
No
Molecular Formula
C10H12N2O2
Molecular Weight
192.210000
Exact Mass
192.089878
SMILES
CC1(CC(=NO1)C2=CC=CC=N2)CO
InChI
InChI=1S/C10H12N2O2/c1-10(7-13)6-9(12-14-10)8-4-2-3-5-11-8/h2-5,13H,6-7H2,1H3
InChIKey
XNSXRUKLJYVQHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.97
TPSA
54.71
LogP / Solubility
WLOGP
0.96
MLOGP
0.84
XLogP3
0.6
Consensus LogP
0.8
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
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)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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