CAS RN: 1823870-09-2
(5-Methyl-3-(Methylthio)-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.20260609 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINM927223
1823870-09-2 / (5-methyl-3-methylsulfanyl-4H-1,2-oxazol-5-yl)methanol
Basic Information
CAS
1823870-09-2
Multi CAS
No
Molecular Formula
C6H11NO2S
Molecular Weight
161.220000
Exact Mass
161.051050
SMILES
CC1(CC(=NO1)SC)CO
InChI
InChI=1S/C6H11NO2S/c1-6(4-8)3-5(10-2)7-9-6/h8H,3-4H2,1-2H3
InChIKey
YANCGSDMAAIEDS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
42.14
TPSA
41.82
LogP / Solubility
WLOGP
0.83
MLOGP
0.73
XLogP3
0.3
Consensus LogP
0.62
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-3.11
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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