![CAS 569679-06-7 3-Azabicyclo[3.1.0]hexane-2,3-dicarboxylic acid, 6,6-dimethyl-, 3-(1,1-dimethylethyl) 2-methyl ester, (1R,2S,5S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/569679-06-7.gif)
CAS RN: 569679-06-7
3-Azabicyclo[3.1.0]hexane-2,3-dicarboxylic acid, 6,6-dimethyl-, 3-(1,1-dimethylethyl) 2-methyl ester, (1R,2S,5S)-
- Product code: SSC-165033
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
569679-06-7 / 3-O-tert-butyl 2-O-methyl (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarboxylate
Basic Information
CAS
569679-06-7
Multi CAS
Yes
Molecular Formula
C14H23NO4
Molecular Weight
269.340000
Exact Mass
269.162708
InChI
InChI=1S/C14H23NO4/c1-13(2,3)19-12(17)15-7-8-9(14(8,4)5)10(15)11(16)18-6/h8-10H,7H2,1-6H3/t8-,9-,10-/m0/s1
InChIKey
ANLZCGMJKWMXFP-GUBZILKMSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
69.51
TPSA
55.84
LogP / Solubility
WLOGP
2.05
MLOGP
1.81
XLogP3
2.3
Consensus LogP
2.05
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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