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CAS RN: 1404457-07-3
(S)-tert-butyl (3-cyclopentyl-1-(cyclopropylaMino)-1-oxopropan-2-yl)carbaMate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250127 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1404457-07-3
- Purity/Analytical Methods: >99.0%
1404457-07-3 / tert-butyl N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate
Basic Information
CAS
1404457-07-3
Multi CAS
No
Molecular Formula
C16H28N2O3
Molecular Weight
296.400000
Exact Mass
296.209993
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1CCCC1)C(=O)NC2CC2
InChI
InChI=1S/C16H28N2O3/c1-16(2,3)21-15(20)18-13(10-11-6-4-5-7-11)14(19)17-12-8-9-12/h11-13H,4-10H2,1-3H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKey
YAJMQKKAVORCKC-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.88
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
80.9
TPSA
67.43
LogP / Solubility
WLOGP
2.74
MLOGP
2.42
XLogP3
3.4
Consensus LogP
2.85
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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