![CAS 885279-60-7 [2-(5-BROMO-THIOPHEN-2-YL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/885279-60-7.gif)
CAS RN: 885279-60-7
[2-(5-BROMO-THIOPHEN-2-YL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
- Product code: SSC-199423
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, 0.1g, 0.25g, 25g
- 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 | Hong Kong | Inquiry |
| 5g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥97% | 2 In Stock | Shenzhen | Inquiry |
| 0.1g | ≥97% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥97% | 1 In Stock | Hong Kong | Inquiry |
| 25g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
885279-60-7 / tert-butyl N-[2-(5-bromothiophen-2-yl)ethyl]carbamate
Basic Information
CAS
885279-60-7
Multi CAS
No
Molecular Formula
BC11H16O2RnS
Molecular Weight
306.220000
Exact Mass
305.008510
InChI
InChI=1S/C11H16BrNO2S/c1-11(2,3)15-10(14)13-7-6-8-4-5-9(12)16-8/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKey
DXBJSPGRHGHJQU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.96
TPSA
38.33
LogP / Solubility
WLOGP
3.58
MLOGP
3.16
XLogP3
3.6
Consensus LogP
3.45
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.98
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 885279-92-5 1,8-DIAZA-SPIRO[4.5]DECANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/885279-92-5.gif)
