![CAS 578706-31-7 Carbamic acid, [2-(cyclopropylamino)ethyl]-, 1,1-dimethylethyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/578706-31-7.gif)
CAS RN: 578706-31-7
Carbamic acid, [2-(cyclopropylamino)ethyl]-, 1,1-dimethylethyl ester (9CI)
- Product code: SSC-166069
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
578706-31-7 / tert-butyl N-[2-(cyclopropylamino)ethyl]carbamate
Basic Information
CAS
578706-31-7
Multi CAS
No
Molecular Formula
C10H20N2O2
Molecular Weight
200.280000
Exact Mass
200.152478
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-6-11-8-4-5-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKey
CUZUDXYCBRXRBQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.26
TPSA
50.36
LogP / Solubility
WLOGP
1.26
MLOGP
1.11
XLogP3
1.1
Consensus LogP
1.16
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-3.04
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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