CAS RN: 406683-19-0
Hydrazinecarboxylic acid, 2-(2-propynyl)-, 1,1-dimethylethyl ester (9CI)
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.20251227 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS406683-19-0
- Purity/Analytical Methods: >99.0%
406683-19-0 / tert-butyl N-(prop-2-ynylamino)carbamate
Basic Information
CAS
406683-19-0
Multi CAS
No
Molecular Formula
C8H14N2O2
Molecular Weight
170.210000
Exact Mass
170.105528
InChI
InChI=1S/C8H14N2O2/c1-5-6-9-10-7(11)12-8(2,3)4/h1,9H,6H2,2-4H3,(H,10,11)
InChIKey
VCOQYSBEWCMFFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.21
TPSA
50.36
LogP / Solubility
WLOGP
0.65
MLOGP
0.57
XLogP3
0.8
Consensus LogP
0.67
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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