![CAS 1038509-56-6 (1s,3s,5s)-2-boc-2-azabicyclo[3.1.0]hexane-3-methylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1038509-56-6.gif)
CAS RN: 1038509-56-6
(1s,3s,5s)-2-boc-2-azabicyclo[3.1.0]hexane-3-methylamine
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.20250517 | 50mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1038509-56-6
- Purity/Analytical Methods: >99.0%
1038509-56-6 / tert-butyl (1S,3S,5S)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate
(1s,3s,5s)-2-boc-2-azabicyclo[3.1.0]hexane-3-methylamine | (1S,3S,5S)-tert-Butyl 3-(aminomethyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate | MFCD28501263
Basic Information
CAS
1038509-56-6
Multi CAS
Yes
Molecular Formula
C11H20N2O2
Molecular Weight
212.290000
Exact Mass
212.152478
SMILES
CC(C)(C)OC(=O)N1[C@@H](C[C@H]2[C@@H]1C2)CN
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-8(6-12)4-7-5-9(7)13/h7-9H,4-6,12H2,1-3H3/t7-,8+,9+/m1/s1
InChIKey
ZBNRVIGHEROTFW-VGMNWLOBSA-N
Synonyms
(1s,3s,5s)-2-boc-2-azabicyclo[3.1.0]hexane-3-methylamine
(1S,3S,5S)-tert-Butyl 3-(aminomethyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate
MFCD28501263
tert-butyl (1S,3S,5S)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate
SCHEMBL1572284
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.43
TPSA
55.56
LogP / Solubility
WLOGP
1.34
MLOGP
1.18
XLogP3
0.8
Consensus LogP
1.11
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.27
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)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
5-(2,5-DICHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
- CAS RN: 1038549-20-0
- Product Code: SSC-005478
-
Methyl 2-methyl-1,2,3,4-tetrahydroisoquinoline-7-carboxylate
- CAS RN: 1038549-50-6
- Product Code: SSC-005479
-
2,4-dichloro-7H-Pyrrolo[2,3-d]pyriMidine-7-carboxylic acid 1,1-diMethylethyl ester
- CAS RN: 1038588-24-7
- Product Code: SSC-005492
-
(R)-2-AMino-1-(pyridin-3-yl)ethanol hydrochloride
- CAS RN: 1038594-01-2
- Product Code: SSC-005494
-
Creoside III
- CAS RN: 1038602-12-8
- Product Code: starshine_CAS1038602-12-8
- Purity/Analytical method: >99.0%
-
(2-chloro-6-methoxyphenyl)methanol
- CAS RN: 1038726-89-4
- Product Code: starshine_CAS1038726-89-4
- Purity/Analytical method: >99.0%
![CAS 1038588-24-7 2,4-dichloro-7H-Pyrrolo[2,3-d]pyriMidine-7-carboxylic acid 1,1-diMethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1038588-24-7.gif)
