CAS RN: 1523530-44-0
methyl (3R)-pyrrolidine-3-carboxylate trifluoroacetate
- Product code: SSC-062105
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 |
1523530-44-0 / methyl (3R)-pyrrolidine-3-carboxylate;2,2,2-trifluoroacetic acid
Basic Information
CAS
1523530-44-0
Multi CAS
No
Molecular Formula
C8H12F3NO4
Molecular Weight
243.180000
Exact Mass
243.071842
SMILES
COC(=O)[C@@H]1CCNC1.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C6H11NO2.C2HF3O2/c1-9-6(8)5-2-3-7-4-5;3-2(4,5)1(6)7/h5,7H,2-4H2,1H3;(H,6,7)/t5-;/m1./s1
InChIKey
PMZSGCGCUBPXBR-NUBCRITNSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
46.68
TPSA
75.63
LogP / Solubility
WLOGP
0.4
MLOGP
0.36
XLogP3
0.4
Consensus LogP
0.39
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
Class (SILICOS-IT)
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)
-3.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
TRANS-3-FLUORO-4-METHOXYPYRROLIDINE HCL
- CAS RN: 1523530-49-5
- Product Code: starshine_CAS1523530-49-5
- Purity/Analytical method: >99.0%
-
exo-8-Azabicyclo[3.2.1]octane-3-carboxylic acid hydrochloride
- CAS RN: 1523530-50-8
- Product Code: starshine_CAS1523530-50-8
- Purity/Analytical method: >99.0%
-
[(1R,2R,3S,4S)-2-(tert-butyldiMethylsilanyloxy)-3-fluoro-4-(4-Methoxybenzyloxy)cyclopentyl]Methanol
- CAS RN: 1523530-54-2
- Product Code: SSC-062108
-
(3R,4S)-3-fluoropiperidin-4-ol hydrochloride
- CAS RN: 1523530-55-3
- Product Code: SSC-062109
-
tert-butyl N-[(3R,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate
- CAS RN: 1523530-57-5
- Product Code: SSC-062110
-
(S)-4-(10-Hydroxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamido)butanoic acid
- CAS RN: 1523530-65-5
- Product Code: starshine_CAS1523530-65-5
- Purity/Analytical method: >99.0%
![CAS 1523530-50-8 exo-8-Azabicyclo[3.2.1]octane-3-carboxylic acid hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1523530-50-8.gif)
![CAS 1523530-54-2 [(1R,2R,3S,4S)-2-(tert-butyldiMethylsilanyloxy)-3-fluoro-4-(4-Methoxybenzyloxy)cyclopentyl]Methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02703978(1).gif)
![CAS 1523530-57-5 tert-butyl N-[(3R,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1523530-57-5.gif)
![CAS 1523530-65-5 (S)-4-(10-Hydroxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamido)butanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1523530-65-5.gif)