CAS RN: 1360603-30-0
tert-butyl (2-(hydroxymethyl)cyclopropyl)methylcarbamate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260101 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1360603-30-0
- Purity/Analytical Methods: >99.0%
1360603-30-0 / tert-butyl N-[[2-(hydroxymethyl)cyclopropyl]methyl]carbamate
Basic Information
CAS
1360603-30-0
Multi CAS
No
Molecular Formula
C10H19NO3
Molecular Weight
201.260000
Exact Mass
201.136493
SMILES
CC(C)(C)OC(=O)NCC1CC1CO
InChI
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-5-7-4-8(7)6-12/h7-8,12H,4-6H2,1-3H3,(H,11,13)
InChIKey
KXNPTSIIVCAMOC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.92
TPSA
58.56
LogP / Solubility
WLOGP
1.14
MLOGP
1
XLogP3
0.9
Consensus LogP
1.01
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
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)
-3.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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