CAS RN: 1252686-47-7
(5R)-3-(4-bromophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one（WS205145）
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251114 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1252686-47-7
- Purity/Analytical Methods: >99.0%
1252686-47-7 / (5R)-3-(4-bromophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
Basic Information
CAS
1252686-47-7
Multi CAS
No
Molecular Formula
C10H10BrNO3
Molecular Weight
272.090000
Exact Mass
270.984410
SMILES
C1[C@@H](OC(=O)N1C2=CC=C(C=C2)Br)CO
InChI
InChI=1S/C10H10BrNO3/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
YVHKIBHMVGVOTH-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
58.84
TPSA
49.77
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
1.5
Consensus LogP
1.61
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
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)
-3.13
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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