CAS RN: 627543-03-7
2-Oxazolidinone, 5-(aMinoMethyl)-3-(3-fluoro-4-iodophenyl)-, (5S)-
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.20260416 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS627543-03-7
- Purity/Analytical Methods: >99.0%
627543-03-7 / 5-(aminomethyl)-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one
Basic Information
CAS
627543-03-7
Multi CAS
Yes
Molecular Formula
C10FH10In2O2
Molecular Weight
336.100000
Exact Mass
335.977100
InChI
InChI=1S/C10H10FIN2O2/c11-8-3-6(1-2-9(8)12)14-5-7(4-13)16-10(14)15/h1-3,7H,4-5,13H2/t7-/m0/s1
InChIKey
FKFIPBBFIQKWOE-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.79
TPSA
55.56
LogP / Solubility
WLOGP
1.71
MLOGP
1.52
XLogP3
1.3
Consensus LogP
1.51
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-3.55
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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