![CAS 956276-42-9 (S,S)-3-BOC-3,6-DIAZABICYCLO[3.2.0]HEPTANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/956276-42-9.gif)
CAS RN: 956276-42-9
(S,S)-3-BOC-3,6-DIAZABICYCLO[3.2.0]HEPTANE
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.20250429 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS956276-42-9
- Purity/Analytical Methods: >99.0%
956276-42-9 / tert-butyl (1S,5S)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate
Basic Information
CAS
956276-42-9
Multi CAS
Yes
Molecular Formula
C10H18N2O2
Molecular Weight
198.260000
Exact Mass
198.136828
InChI
InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-5-7-4-11-8(7)6-12/h7-8,11H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKey
YKGWXZRHRQUYTA-JGVFFNPUSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.09
TPSA
41.57
LogP / Solubility
WLOGP
0.83
MLOGP
0.73
XLogP3
0.6
Consensus LogP
0.72
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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
2.5
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