![CAS 2177263-11-3 rel-(1R,5S)-6,6-Difluoro-3-azabicyclo[3.2.0]heptane hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2177263-11-3.png)
CAS RN: 2177263-11-3
rel-(1R,5S)-6,6-Difluoro-3-azabicyclo[3.2.0]heptane hydrochloride
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.20250922 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2177263-11-3
- Purity/Analytical Methods: >99.0%
2177263-11-3 / (1S,5R)-6,6-difluoro-3-azabicyclo[3.2.0]heptane;hydrochloride
Basic Information
CAS
2177263-11-3
Multi CAS
No
Molecular Formula
C6H10ClF2N
Molecular Weight
169.600000
Exact Mass
169.046983
SMILES
C1[C@@H]2CNC[C@@H]2C1(F)F.Cl
InChI
InChI=1S/C6H9F2N.ClH/c7-6(8)1-4-2-9-3-5(4)6;/h4-5,9H,1-3H2;1H/t4-,5+;/m1./s1
InChIKey
NJBGNMIKAIZJQQ-JBUOLDKXSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.66
TPSA
12.03
LogP / Solubility
WLOGP
1.28
MLOGP
1.13
XLogP3
1.28
Consensus LogP
1.23
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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