![CAS 1820572-07-3 (1R,6S)-3-Boc-7-[(R)-1-phenylethyl]-3,7-diazabicyclo[4.2.0]octane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB92664467.gif)
CAS RN: 1820572-07-3
(1R,6S)-3-Boc-7-[(R)-1-phenylethyl]-3,7-diazabicyclo[4.2.0]octane
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.20260617 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-082790
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: 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- 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.
1820572-07-3 / tert-butyl (1R,6S)-7-[(1R)-1-phenylethyl]-3,7-diazabicyclo[4.2.0]octane-3-carboxylate
Basic Information
CAS
1820572-07-3
Multi CAS
No
Molecular Formula
C19H28N2O2
Molecular Weight
316.400000
Exact Mass
316.215078
SMILES
C[C@H](C1=CC=CC=C1)N2C[C@H]3[C@@H]2CCN(C3)C(=O)OC(C)(C)C
InChI
InChI=1S/C19H28N2O2/c1-14(15-8-6-5-7-9-15)21-13-16-12-20(11-10-17(16)21)18(22)23-19(2,3)4/h5-9,14,16-17H,10-13H2,1-4H3/t14-,16+,17+/m1/s1
InChIKey
SCBZIRLPWKMXGG-PVAVHDDUSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
91.27
TPSA
32.78
LogP / Solubility
WLOGP
3.69
MLOGP
3.26
XLogP3
3.3
Consensus LogP
3.42
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 1820574-76-2 (1S,6R)-3-Boc-7-[(R)-1-phenylethyl]-3,7-diazabicyclo[4.2.0]octane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB22664468.gif)
