![CAS 265988-00-9 Carbamic acid, [(1R,2S)-2-aminocyclopropyl]-, 1,1-dimethylethyl ester, rel- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/265988-00-9.gif)
CAS RN: 265988-00-9
Carbamic acid, [(1R,2S)-2-aminocyclopropyl]-, 1,1-dimethylethyl ester, rel-
- Product code: SSC-124636
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 | Beijing | Inquiry |
265988-00-9 / tert-butyl N-(2-aminocyclopropyl)carbamate
Basic Information
CAS
265988-00-9
Multi CAS
No
Molecular Formula
C8H16N2O2
Molecular Weight
172.220000
Exact Mass
172.121178
SMILES
CC(C)(C)OC(=O)NC1CC1N
InChI
InChI=1S/C8H16N2O2/c1-8(2,3)12-7(11)10-6-4-5(6)9/h5-6H,4,9H2,1-3H3,(H,10,11)
InChIKey
XDHLWTHTPXBYLH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.75
TPSA
64.35
LogP / Solubility
WLOGP
0.61
MLOGP
0.53
XLogP3
0.3
Consensus LogP
0.48
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
Class (SILICOS-IT)
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)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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