CAS RN: 577777-20-9
3-BOC-3-METHYLAMINOAZATIDINE
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.20260416 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS577777-20-9
- Purity/Analytical Methods: >99.0%
577777-20-9 / tert-butyl N-(azetidin-3-ylmethyl)carbamate
Basic Information
CAS
577777-20-9
Multi CAS
Yes
Molecular Formula
C9H18N2O2
Molecular Weight
186.250000
Exact Mass
186.136828
InChI
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11(4)7-5-10-6-7/h7,10H,5-6H2,1-4H3
InChIKey
LHUFQYUQIUJJIB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.6
TPSA
50.36
LogP / Solubility
WLOGP
0.73
MLOGP
0.64
XLogP3
0.5
Consensus LogP
0.62
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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
1.5
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