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CAS 1090388-79-6 5-BROMO-3-(PYRROLIDIN-1-YLCARBONYL)PYRIDINE molecular structure lightbox
CAS RN: 1090388-79-6

5-BROMO-3-(PYRROLIDIN-1-YLCARBONYL)PYRIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250131 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-010215
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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: 5g
  • 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 1090388-79-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

1090388-79-6 / (5-bromo-3-pyridinyl)-pyrrolidin-1-ylmethanone

(5-Bromopyridin-3-yl)(pyrrolidin-1-yl)methanone | 3-Bromo-5-(pyrrolidinocarbonyl)pyridine | 5-BROMO-3-(PYRROLIDIN-1-YLCARBONYL)PYRIDINE

Standard CAS: 1090388-79-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1090388-79-6
Multi CAS
No
Molecular Formula
C10H11BrN2O
Molecular Weight
255.110000
Exact Mass
254.005480
SMILES
C1CCN(C1)C(=O)C2=CC(=CN=C2)Br
InChI
InChI=1S/C10H11BrN2O/c11-9-5-8(6-12-7-9)10(14)13-3-1-2-4-13/h5-7H,1-4H2
InChIKey
JFKJUEBASITIFL-UHFFFAOYSA-N
Synonyms
(5-Bromopyridin-3-yl)(pyrrolidin-1-yl)methanone 3-Bromo-5-(pyrrolidinocarbonyl)pyridine 5-BROMO-3-(PYRROLIDIN-1-YLCARBONYL)PYRIDINE MFCD10000776 3-bromo-5-(pyrrolidine-1-carbonyl)pyridine

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
57.07
TPSA
33.2

LogP / Solubility

WLOGP
2.08
MLOGP
1.84
XLogP3
1.5
Consensus LogP
1.81
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8

Drug-likeness / Medicinal Chemistry

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

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