CAS RN: 6629-85-2
2-Oxazolidinone,4-(hydroxymethyl)-4-methyl-
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.20250522 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS6629-85-2
- Purity/Analytical Methods: >99.0%
6629-85-2 / 4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
Basic Information
CAS
6629-85-2
Multi CAS
Yes
Molecular Formula
C5H9NO3
Molecular Weight
131.130000
Exact Mass
131.058243
InChI
InChI=1S/C5H9NO3/c1-5(2-7)3-9-4(8)6-5/h7H,2-3H2,1H3,(H,6,8)
InChIKey
JKUDHKGYEHJGQR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
29.97
TPSA
58.56
LogP / Solubility
WLOGP
-0.52
MLOGP
-0.47
XLogP3
-0.7
Consensus LogP
-0.56
Log S (ESOL)
-0.26
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.2
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-3.89
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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