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CAS 1007882-58-7 (S)-tert-butyl 2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate molecular structure lightbox
CAS RN: 1007882-58-7

(S)-tert-butyl 2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250427 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-001509
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1007882-58-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1007882-58-7 / tert-butyl (2S)-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate

tert-butyl (2S)-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate | DTXSID10678537 | RefChem:382964

Standard CAS: 1007882-58-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1007882-58-7
Multi CAS
Yes
Molecular Formula
C12H19N3O2
Molecular Weight
237.300000
Exact Mass
237.147727
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C2=NC=CN2
InChI
InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-8-4-5-9(15)10-13-6-7-14-10/h6-7,9H,4-5,8H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKey
GHITWFDHFOLATC-VIFPVBQESA-N
Synonyms
tert-butyl (2S)-2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate DTXSID10678537 RefChem:382964 DTXCID10629286 (S)-tert-Butyl 2-(1H-imidazol-2-yl)pyrrolidine-1-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.5
TPSA
58.22

LogP / Solubility

WLOGP
2.48
MLOGP
2.19
XLogP3
1.3
Consensus LogP
1.99
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41

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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