CAS RN: 203664-05-5
Carbamic acid, (1H-imidazol-2-ylmethyl)-, 1,1-dimethylethyl ester (9CI)
Product Availability
Choose a grade to view its available package options.
5 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260625 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250628 | 1g | Out of stock | Inquiry | ||
| Batchno.20251119 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250329 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250916 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-095897
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.05g, 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >97%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.05g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 0.1g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 1g | >97% | 1 In Stock | Shanghai | Inquiry |
| 5g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 1 In Stock | Beijing | Inquiry |
203664-05-5 / tert-butyl N-(1H-imidazol-2-ylmethyl)carbamate
Basic Information
CAS
203664-05-5
Multi CAS
No
Molecular Formula
C9H15N3O2
Molecular Weight
197.230000
Exact Mass
197.116427
SMILES
CC(C)(C)OC(=O)NCC1=NC=CN1
InChI
InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)12-6-7-10-4-5-11-7/h4-5H,6H2,1-3H3,(H,10,11)(H,12,13)
InChIKey
CEUVRSCDAWCEGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.66
TPSA
67.01
LogP / Solubility
WLOGP
1.43
MLOGP
1.26
XLogP3
0.6
Consensus LogP
1.1
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately 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)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 20367-38-8 METHYL 6-CHLORO-1H-BENZO[D]IMIDAZOL-2-YLCARBAMATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/20367-38-8.gif)
