![CAS 174456-80-5 exo-3-Benzyl-3-azabicyclo[3.1.0]hexane-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/174456-80-5.gif)
CAS RN: 174456-80-5
exo-3-Benzyl-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
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.20251106 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-076521
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: ＞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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
174456-80-5 / (1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
Basic Information
CAS
174456-80-5
Multi CAS
No
Molecular Formula
C13H15NO2
Molecular Weight
217.260000
Exact Mass
217.110279
SMILES
C1[C@@H]2[C@@H](C2C(=O)O)CN1CC3=CC=CC=C3
InChI
InChI=1S/C13H15NO2/c15-13(16)12-10-7-14(8-11(10)12)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2,(H,15,16)/t10-,11+,12?
InChIKey
YGNSZJXUFXZCPP-FOSCPWQOSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.82
TPSA
40.54
LogP / Solubility
WLOGP
1.45
MLOGP
1.28
XLogP3
-0.9
Consensus LogP
0.61
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
(S,S)-(-)-2,2′-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1′-bis(diphenylphosphino)ferrocene
- CAS RN: 174467-31-3
- Product Code: SSC-076526
-
Tipranavir
- CAS RN: 174484-41-4
- Product Code: starshine_CAS174484-41-4
- Purity/Analytical method: >99.0%
-
tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
- CAS RN: 174486-93-2
- Product Code: SSC-076531
-
![CAS 174467-31-3 (S,S)-(-)-2,2′-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1′-bis(diphenylphosphino)ferrocene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/174467-31-3.gif)
![CAS 174486-93-2 tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/174486-93-2.gif)
