CAS RN: 40126-55-4
5-(4-Chlorobutyl)hydantoin
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock2 grade groups
- Product code: SSC-148104
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
40126-55-4 / 5-(4-chlorobutyl)imidazolidine-2,4-dione
Basic Information
CAS
40126-55-4
Multi CAS
Yes
Molecular Formula
C7H11CLN2O2
Molecular Weight
190.630000
Exact Mass
190.050905
InChI
InChI=1S/C7H11ClN2O2/c8-4-2-1-3-5-6(11)10-7(12)9-5/h5H,1-4H2,(H2,9,10,11,12)
InChIKey
ZKHLVOULDIXSCC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.03
TPSA
58.2
LogP / Solubility
WLOGP
0.6
MLOGP
0.53
XLogP3
0.7
Consensus LogP
0.61
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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