CAS RN: 1189154-01-5
(R)-tert-Butyl 2-(4-bromophenyl)pyrrolidine-1-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.20250708 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-019139
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 | Shenzhen | Inquiry |
1189154-01-5 / tert-butyl (2R)-2-(4-bromophenyl)pyrrolidine-1-carboxylate
(R)-tert-Butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate | MFCD30530489 | TERT-BUTYL (2R)-2-(4-BROMOPHENYL)PYRROLIDINE-1-CARBOXYLATE
Basic Information
CAS
1189154-01-5
Multi CAS
Yes
Molecular Formula
C15H20BrNO2
Molecular Weight
326.230000
Exact Mass
325.067740
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]1C2=CC=C(C=C2)Br
InChI
InChI=1S/C15H20BrNO2/c1-15(2,3)19-14(18)17-10-4-5-13(17)11-6-8-12(16)9-7-11/h6-9,13H,4-5,10H2,1-3H3/t13-/m1/s1
InChIKey
PZDPUQUIZKCNOF-CYBMUJFWSA-N
Synonyms
(R)-tert-Butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate
MFCD30530489
TERT-BUTYL (2R)-2-(4-BROMOPHENYL)PYRROLIDINE-1-CARBOXYLATE
tert-butyl (R)-2-(4-bromophenyl)pyrrolidine-1-carboxylate
(R)-1-Boc-2-(4-bromophenyl)pyrrolidine
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
79.06
TPSA
29.54
LogP / Solubility
WLOGP
4.52
MLOGP
3.99
XLogP3
3.8
Consensus LogP
4.1
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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