CAS RN: 1007882-04-3
(S)-tert-butyl 2-(5-(4-bromophenyl)-1H-imidazol-2-yl)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.20250723 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-001506
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1007882-04-3 / tert-butyl (2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
2-[5-(4-bromo-phenyl)-1H-imidazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl ester | tert-butyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate | tert-butyl 2-(5-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
Basic Information
CAS
1007882-04-3
Multi CAS
Yes
Molecular Formula
C18H22BrN3O2
Molecular Weight
392.300000
Exact Mass
391.089540
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C18H22BrN3O2/c1-18(2,3)24-17(23)22-10-4-5-15(22)16-20-11-14(21-16)12-6-8-13(19)9-7-12/h6-9,11,15H,4-5,10H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKey
SEJWRHUDDTVGHP-HNNXBMFYSA-N
Synonyms
2-[5-(4-bromo-phenyl)-1H-imidazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl ester
tert-butyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
tert-butyl 2-(5-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
starbld0002085
SCHEMBL203414
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
11
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
96.64
TPSA
58.22
LogP / Solubility
WLOGP
4.91
MLOGP
4.34
XLogP3
3.7
Consensus LogP
4.32
Log S (ESOL)
-5.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
![CAS 1007882-12-3 (S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-y molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-y
- CAS RN: 1007882-12-3
- Product Code: SSC-001507
-
1-Pyrrolidinecarboxylic acid, 2,2′-([1,1′-biphenyl]-4,4′-diyldi-1H-iMidazole-5,2-diyl)bis-, 1,1′-bis(1,1-diMethylethyl) ester, (2S,2’S)-
- CAS RN: 1007882-23-6
- Product Code: SSC-001508
-
(S)-tert-butyl 2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate
- CAS RN: 1007882-58-7
- Product Code: SSC-001509
-
(S)-tert-butyl 2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
- CAS RN: 1007882-59-8
- Product Code: SSC-001510
-
-
Daclatasvir Impurity F
- CAS RN: 1007884-60-7
- Product Code: starshine_CAS1007884-60-7
- Purity/Analytical method: >99.0%
![CAS 1007882-12-3 (S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-y molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1007882-12-3.gif)
![CAS 1007882-23-6 1-Pyrrolidinecarboxylic acid, 2,2′-([1,1′-biphenyl]-4,4′-diyldi-1H-iMidazole-5,2-diyl)bis-, 1,1′-bis(1,1-diMethylethyl) ester, (2S,2’S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1007882-23-6.gif)
