CAS RN: 252330-13-5
(R)-5-(hydroxymethyl)-3-(4-iodophenyl)oxazolidin-2-one
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.20260316 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS252330-13-5
- Purity/Analytical Methods: >99.0%
252330-13-5 / (5R)-5-(hydroxymethyl)-3-(4-iodophenyl)-1,3-oxazolidin-2-one
Basic Information
CAS
252330-13-5
Multi CAS
No
Molecular Formula
C10H10INO3
Molecular Weight
319.100000
Exact Mass
318.970540
SMILES
C1[C@@H](OC(=O)N1C2=CC=C(C=C2)I)CO
InChI
InChI=1S/C10H10INO3/c11-7-1-3-8(4-2-7)12-5-9(6-13)15-10(12)14/h1-4,9,13H,5-6H2/t9-/m1/s1
InChIKey
KECRHMULLZOXQY-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.86
TPSA
49.77
LogP / Solubility
WLOGP
1.61
MLOGP
1.43
XLogP3
1.5
Consensus LogP
1.51
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-3.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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