![CAS 848777-73-1 rel-(1R,2S,5S)-3-(tert-butoxycarbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/848777-73-1.gif)
CAS RN: 848777-73-1
rel-(1R,2S,5S)-3-(tert-butoxycarbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
- Product code: SSC-192583
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 | Beijing | Inquiry |
848777-73-1 / (1R,2S,5S)-6,6-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
Basic Information
CAS
848777-73-1
Multi CAS
Yes
Molecular Formula
C13H21NO4
Molecular Weight
255.310000
Exact Mass
255.147058
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(17)14-6-7-8(13(7,4)5)9(14)10(15)16/h7-9H,6H2,1-5H3,(H,15,16)/t7-,8-,9-/m0/s1
InChIKey
MFBZMDIQWYXOSP-CIUDSAMLSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.85
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.12
TPSA
66.84
LogP / Solubility
WLOGP
1.96
MLOGP
1.73
XLogP3
2
Consensus LogP
1.9
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.07
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)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
![CAS 848784-87-2 Lup-20(29)-en-28-oic acid, 3-[β-D-glucopyranosyl(1→4)[a-L-rhaMnopyranosyl) (1→2)-a -L-arabinopyranosyl]oxy], (3β,4a)-) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Lup-20(29)-en-28-oic acid, 3-[β-D-glucopyranosyl(1→4)[a-L-rhaMnopyranosyl) (1→2)-a -L-arabinopyranosyl]oxy], (3β,4a)-)
- CAS RN: 848784-87-2
- Product Code: starshine_CAS848784-87-2
- Purity/Analytical method: >99.0%
-
-
-
-
Pyrrolidine, 2-[bis(3,5-dimethylphenyl)[(trimethylsilyl)oxy]methyl]-, (2S)-
- CAS RN: 848821-60-3
- Product Code: SSC-192593
-
(S)-2-[(Bis(3,5-bis(trifluoromethyl)phenyl)trimethylsilanyloxy)methyl]pyrrolidine, (S)-2-[(Bis(3,5-bis(trifluoromethyl)phenyl)trimethylsilyloxy)methyl]pyrrolidine, (S)-α,α-[3,5-Bis(trifluoromethyl)phenyl]prolinol trimethylsilyl ether
- CAS RN: 848821-61-4
- Product Code: SSC-192594
![CAS 848784-87-2 Lup-20(29)-en-28-oic acid, 3-[β-D-glucopyranosyl(1→4)[a-L-rhaMnopyranosyl) (1→2)-a -L-arabinopyranosyl]oxy], (3β,4a)-) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/848784-87-2.gif)
![CAS 848821-60-3 Pyrrolidine, 2-[bis(3,5-dimethylphenyl)[(trimethylsilyl)oxy]methyl]-, (2S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/848821-60-3.gif)
![CAS 848821-61-4 (S)-2-[(Bis(3,5-bis(trifluoromethyl)phenyl)trimethylsilanyloxy)methyl]pyrrolidine, (S)-2-[(Bis(3,5-bis(trifluoromethyl)phenyl)trimethylsilyloxy)methyl]pyrrolidine, (S)-α,α-[3,5-Bis(trifluoromethyl)phenyl]prolinol trimethylsilyl ether molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/848821-61-4.gif)