CAS RN: 1638761-20-2
benzyl ((3S,4S)-4-fluoropyrrolidin-3-yl)carbamate
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.20260219 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-071335
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1638761-20-2 / benzyl N-[(3R,4R)-4-fluoropyrrolidin-3-yl]carbamate
Basic Information
CAS
1638761-20-2
Multi CAS
No
Molecular Formula
C12H15FN2O2
Molecular Weight
238.260000
Exact Mass
238.111756
SMILES
C1[C@H]([C@@H](CN1)F)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C12H15FN2O2/c13-10-6-14-7-11(10)15-12(16)17-8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H,15,16)/t10-,11-/m1/s1
InChIKey
KZWUUEWPRQZDNF-GHMZBOCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.32
TPSA
50.36
LogP / Solubility
WLOGP
1.22
MLOGP
1.08
XLogP3
1.3
Consensus LogP
1.2
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-3.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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