CAS RN: 864825-21-8
(S)-benzyl 1-(4-phenyl-1H-iMidazol-2-yl)ethylcarbaMate
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.20251026 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-195583
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
864825-21-8 / benzyl N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate
Basic Information
CAS
864825-21-8
Multi CAS
Yes
Molecular Formula
C19H19N3O2
Molecular Weight
321.400000
Exact Mass
321.147727
InChI
InChI=1S/C19H19N3O2/c1-14(21-19(23)24-13-15-8-4-2-5-9-15)18-20-12-17(22-18)16-10-6-3-7-11-16/h2-12,14H,13H2,1H3,(H,20,22)(H,21,23)/t14-/m0/s1
InChIKey
IWDPWKLTLCLZLA-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
17
Fraction Csp3
0.16
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
92.2
TPSA
67.01
LogP / Solubility
WLOGP
4.06
MLOGP
3.59
XLogP3
3.2
Consensus LogP
3.62
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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