CAS RN: 80860-42-0
Carbamic acid, (6-oxohexyl)-, 1,1-dimethylethyl ester
- Product code: SSC-189487
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, 10g, 5g, 0.1g, 0.25g
- Available purity: >95%
- 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 | >95% | 5 In Stock | Hong Kong | Inquiry |
| 10g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 4 In Stock | Beijing | Inquiry |
| 0.1g | >95% | 3 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 3 In Stock | Shenzhen | Inquiry |
80860-42-0 / tert-butyl N-(6-oxohexyl)carbamate
Basic Information
CAS
80860-42-0
Multi CAS
No
Molecular Formula
C11H21NO3
Molecular Weight
215.290000
Exact Mass
215.152144
InChI
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9-13/h9H,4-8H2,1-3H3,(H,12,14)
InChIKey
VLXBTPVTHZTXBN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.77
TPSA
55.4
LogP / Solubility
WLOGP
2.27
MLOGP
2
XLogP3
1.4
Consensus LogP
1.89
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.66
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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