![CAS 134575-07-8 exo-3-Benzyl-3-azabicyclo[3.1.0]hexane-6-methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/134575-07-8.gif)
CAS RN: 134575-07-8
exo-3-Benzyl-3-azabicyclo[3.1.0]hexane-6-methanol
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.20250920 | 250mg / 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-042420
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 | Beijing | Inquiry |
134575-07-8 / [(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
Basic Information
CAS
134575-07-8
Multi CAS
No
Molecular Formula
C13H17NO
Molecular Weight
203.280000
Exact Mass
203.131014
SMILES
C1[C@@H]2[C@@H](C2CO)CN1CC3=CC=CC=C3
InChI
InChI=1S/C13H17NO/c15-9-13-11-7-14(8-12(11)13)6-10-4-2-1-3-5-10/h1-5,11-13,15H,6-9H2/t11-,12+,13?
InChIKey
NMJRXNUMGKZPHG-FUNVUKJBSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.27
TPSA
23.47
LogP / Solubility
WLOGP
1.36
MLOGP
1.19
XLogP3
1.4
Consensus LogP
1.32
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately 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
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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Tert-Butyl (((Meso-1R,5S,6S)-3-Benzyl-3-Azabicyclo[3.1.0]Hexan-6-Yl)Methyl)Carbamate
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