CAS RN: 145013-05-4
1,3-Bis(tert-butoxycarbonyl)thiourea
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260317 | 200mg / 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-056391
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, 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 5
- 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 | >97% | 5 In Stock | Shanghai | Inquiry |
| 5g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 5 In Stock | Shanghai | Inquiry |
| 25g | >97% | 5 In Stock | Hong Kong | Inquiry |
| 100g | >97% | 4 In Stock | Shenzhen | Inquiry |
145013-05-4 / tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylcarbamothioyl]carbamate
Basic Information
CAS
145013-05-4
Multi CAS
No
Molecular Formula
C11H20N2O4S
Molecular Weight
276.350000
Exact Mass
276.114378
SMILES
CC(C)(C)OC(=O)NC(=S)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H20N2O4S/c1-10(2,3)16-8(14)12-7(18)13-9(15)17-11(4,5)6/h1-6H3,(H2,12,13,14,15,18)
InChIKey
CSOJECDGWHHWRS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.73
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
71.34
TPSA
76.66
LogP / Solubility
WLOGP
2.32
MLOGP
2.05
XLogP3
3.4
Consensus LogP
2.59
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
