CAS RN: 647857-39-4
Methyl (2R,4S)-1-Boc-4-fluoropyrrolidine-2-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.20260208 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-174465
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
647857-39-4 / 1-O-tert-butyl 2-O-methyl 4-fluoropyrrolidine-1,2-dicarboxylate
Basic Information
CAS
647857-39-4
Multi CAS
Yes
Molecular Formula
C11FH18NO4
Molecular Weight
247.260000
Exact Mass
247.121986
InChI
InChI=1S/C11H18FNO4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKey
METPQQHVRNLTRX-JGVFFNPUSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
58.26
TPSA
55.84
LogP / Solubility
WLOGP
1.51
MLOGP
1.33
XLogP3
1.6
Consensus LogP
1.48
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-3.16
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
-
1-tert-butyl 2-methyl (2R,4R)-4-fluoropyrrolidine-1,2-dicarboxylate
- CAS RN: 647857-43-0
- Product Code: SSC-174466
-
Methyl (2S,4S)-1-Boc-4-trifluoroMethylpyrrolidine-2-carboxylate
- CAS RN: 647857-63-4
- Product Code: SSC-174467
-
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
-
