CAS RN: 923200-35-5
2,2,2-TRIFLUOROETHYL 4-METHYLPHENYLCARBAMATE
- Product code: SSC-205927
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
923200-35-5 / 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoic acid
Basic Information
CAS
923200-35-5
Multi CAS
Yes
Molecular Formula
C11H10N2O4
Molecular Weight
234.210000
Exact Mass
234.064057
InChI
InChI=1S/C11H10N2O4/c14-9-5-12-11(17)13(9)6-7-1-3-8(4-2-7)10(15)16/h1-4H,5-6H2,(H,12,17)(H,15,16)
InChIKey
XIPQRWGRCZWBER-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.35
TPSA
86.71
LogP / Solubility
WLOGP
0.44
MLOGP
0.39
XLogP3
0.3
Consensus LogP
0.38
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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