CAS RN: 2089381-65-5
(R)-3-(2-Chloro-6-methyl-4-pyrimidinyl)-4-isopropyl-2-oxazolidinone
- Product code: SSC-098319
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
2089381-65-5 / (4R)-3-(2-chloro-6-methylpyrimidin-4-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
Basic Information
CAS
2089381-65-5
Multi CAS
No
Molecular Formula
C11H14ClN3O2
Molecular Weight
255.700000
Exact Mass
255.077454
SMILES
CC1=CC(=NC(=N1)Cl)N2[C@@H](COC2=O)C(C)C
InChI
InChI=1S/C11H14ClN3O2/c1-6(2)8-5-17-11(16)15(8)9-4-7(3)13-10(12)14-9/h4,6,8H,5H2,1-3H3/t8-/m0/s1
InChIKey
KUHPPZCNOWLVCO-QMMMGPOBSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
64.23
TPSA
55.32
LogP / Solubility
WLOGP
2.42
MLOGP
2.14
XLogP3
2.8
Consensus LogP
2.45
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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