CAS RN: 151978-50-6
Carbamic acid, 4-pentynyl-, 1,1-dimethylethyl ester (9CI)
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250210 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250509 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260211 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250403 | 25g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260430 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: SSC-061769
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: 1g, 5g, 10g, 0.25g, 0.1g, 25g, 100g
- Available purity: >95%
- Inventory rows with stock: 7
- 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 |
|---|---|---|---|---|
| 1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 5 In Stock | Shanghai | Inquiry |
| 10g | >95% | 4 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 3 In Stock | Shanghai | Inquiry |
| 0.1g | >95% | 2 In Stock | Beijing | Inquiry |
| 25g | >95% | 2 In Stock | Hong Kong | Inquiry |
| 100g | >95% | 1 In Stock | Hong Kong | Inquiry |
151978-50-6 / tert-butyl N-pent-4-ynylcarbamate
Basic Information
CAS
151978-50-6
Multi CAS
No
Molecular Formula
C10H17NO2
Molecular Weight
183.250000
Exact Mass
183.125929
SMILES
CC(C)(C)OC(=O)NCCCC#C
InChI
InChI=1S/C10H17NO2/c1-5-6-7-8-11-9(12)13-10(2,3)4/h1H,6-8H2,2-4H3,(H,11,12)
InChIKey
JTPJJKZSKWNWKK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.7
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.3
TPSA
38.33
LogP / Solubility
WLOGP
1.92
MLOGP
1.69
XLogP3
1.9
Consensus LogP
1.84
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-2.47
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
1.5
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (95%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
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-
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- Purity/Analytical method: >99.0%
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