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CAS 1382486-27-2 1-(5-bromopyridin-2-yl)cyclobutanecarboxylic acid molecular structure lightbox
CAS RN: 1382486-27-2

1-(5-bromopyridin-2-yl)cyclobutanecarboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260521 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-048183
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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: 0.25g
  • 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 1382486-27-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry

1382486-27-2 / 1-(5-bromo-2-pyridinyl)cyclobutane-1-carboxylic acid

Standard CAS: 1382486-27-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1382486-27-2
Multi CAS
No
Molecular Formula
C10H10BrNO2
Molecular Weight
256.100000
Exact Mass
254.989490
SMILES
C1CC(C1)(C2=NC=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C10H10BrNO2/c11-7-2-3-8(12-6-7)10(9(13)14)4-1-5-10/h2-3,6H,1,4-5H2,(H,13,14)
InChIKey
OALBQEKDAYWCPU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.1
TPSA
50.19

LogP / Solubility

WLOGP
2.35
MLOGP
2.08
XLogP3
1.9
Consensus LogP
2.11
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-2.61

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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