![CAS 700376-58-5 (1R,3S,5R)-2-AZABICYCLO[3.1.0]HEXANE-3-CARBOXAMIDE 2,2,2-TRIFLUOROACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/700376-58-5.gif)
CAS RN: 700376-58-5
(1R,3S,5R)-2-AZABICYCLO[3.1.0]HEXANE-3-CARBOXAMIDE 2,2,2-TRIFLUOROACETIC ACID
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260505 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS700376-58-5
- Purity/Analytical Methods: >99.0%
700376-58-5 / 2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetic acid
Basic Information
CAS
700376-58-5
Multi CAS
Yes
Molecular Formula
C8F3H11N2O3
Molecular Weight
240.180000
Exact Mass
240.072177
InChI
InChI=1S/C6H10N2O.C2HF3O2/c7-6(9)5-2-3-1-4(3)8-5;3-2(4,5)1(6)7/h3-5,8H,1-2H2,(H2,7,9);(H,6,7)/t3-,4-,5+;/m1./s1
InChIKey
ANTLFTRMIBAQHA-ZDQHTEEMSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
46.32
TPSA
92.42
LogP / Solubility
WLOGP
-0.14
MLOGP
-0.12
XLogP3
-0.14
Consensus LogP
-0.13
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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