CAS RN: 647857-63-4
Methyl (2S,4S)-1-Boc-4-trifluoroMethylpyrrolidine-2-carboxylate
- Product code: SSC-174467
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 |
647857-63-4 / 1-O-tert-butyl 2-O-methyl (2S,4S)-4-(trifluoromethyl)pyrrolidine-1,2-dicarboxylate
Basic Information
CAS
647857-63-4
Multi CAS
Yes
Molecular Formula
C12F3H18NO4
Molecular Weight
297.270000
Exact Mass
297.118793
InChI
InChI=1S/C12H18F3NO4/c1-11(2,3)20-10(18)16-6-7(12(13,14)15)5-8(16)9(17)19-4/h7-8H,5-6H2,1-4H3/t7-,8-/m1/s1
InChIKey
BIBYRUVESDZUDY-HTQZYQBOSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
62.91
TPSA
55.84
LogP / Solubility
WLOGP
2.35
MLOGP
2.08
XLogP3
2.6
Consensus LogP
2.34
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
Methyl (R)-1-Boc-4,4-difluoropyrrolidine-2-carboxylate
- CAS RN: 647857-74-7
- Product Code: SSC-174468
-
1-Bromo-2-(bromomethyl)-4,5-difluorobenzene, alpha,2-Dibromo-4,5-difluorotoluene
- CAS RN: 647862-95-1
- Product Code: SSC-174469
-
tert-Butyl 3-oxo-4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
- CAS RN: 647863-25-0
- Product Code: SSC-174470
-
-
1H-Thieno[3,2-c]pyrazole-5-carboxylic acid, 3-amino-, methyl ester
- CAS RN: 648411-35-2
- Product Code: SSC-174510
-
Methyl 4-aMino-5-cyanothiophene-2-carboxylate
- CAS RN: 648412-51-5
- Product Code: SSC-174511
![CAS 648411-35-2 1H-Thieno[3,2-c]pyrazole-5-carboxylic acid, 3-amino-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/648411-35-2.gif)
