![CAS 1067230-68-5 (3-endo)-benzyl3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1067230-68-5.gif)
CAS RN: 1067230-68-5
(3-endo)-benzyl3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
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.20260201 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-008260
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 | Shanghai | Inquiry |
1067230-68-5 / benzyl (1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
benzyl exo-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate | Benzyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate | MFCD28347830
Basic Information
CAS
1067230-68-5
Multi CAS
Yes
Molecular Formula
C16H21NO3
Molecular Weight
275.340000
Exact Mass
275.152144
SMILES
C1C[C@H]2CC(C[C@@H]1N2C(=O)OCC3=CC=CC=C3)CO
InChI
InChI=1S/C16H21NO3/c18-10-13-8-14-6-7-15(9-13)17(14)16(19)20-11-12-4-2-1-3-5-12/h1-5,13-15,18H,6-11H2/t13?,14-,15+
InChIKey
BYTYNVIRGLRSME-GOOCMWNKSA-N
Synonyms
benzyl exo-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
Benzyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
MFCD28347830
Benzyl3-(Hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
MFCD18071452
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.09
TPSA
49.77
LogP / Solubility
WLOGP
2.56
MLOGP
2.26
XLogP3
2.3
Consensus LogP
2.37
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
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