[email protected]
CAS 1142194-47-5 4-Bromo-2-pyrrolidin-1-ylpyridine molecular structure lightbox
CAS RN: 1142194-47-5

4-Bromo-2-pyrrolidin-1-ylpyridine

  • Product code: SSC-014087
GET A QUOTE
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, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1142194-47-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shanghai Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g >97% 1 In Stock Hong Kong Inquiry
10g >97% 1 In Stock Shanghai Inquiry

1142194-47-5 / 4-bromo-2-pyrrolidin-1-ylpyridine

4-Bromo-2-pyrrolidin-1-ylpyridine | 4-bromo-2-(pyrrolidin-1-yl)pyridine | MFCD11869630

Standard CAS: 1142194-47-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1142194-47-5
Multi CAS
No
Molecular Formula
C9H11BrN2
Molecular Weight
227.100000
Exact Mass
226.010560
SMILES
C1CCN(C1)C2=NC=CC(=C2)Br
InChI
InChI=1S/C9H11BrN2/c10-8-3-4-11-9(7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChIKey
POSHCKSYISAKHI-UHFFFAOYSA-N
Synonyms
4-Bromo-2-pyrrolidin-1-ylpyridine 4-bromo-2-(pyrrolidin-1-yl)pyridine MFCD11869630 4-Bromo-2-(1-pyrrolidinyl)pyridine 4-BROMO-2-(PYRROLIDINO)PYRIDINE

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
53.38
TPSA
16.13

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
2.5
Consensus LogP
2.36
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
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)
-2.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us