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CAS 731811-50-0 (1R,2R)-2-(pyridin-3-yl)cyclopropanecarboxylic acid molecular structure lightbox
CAS RN: 731811-50-0

(1R,2R)-2-(pyridin-3-yl)cyclopropanecarboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250524 100mg Out of stock 1 business days Inquiry
  • Product code: SSC-182642
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • 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 731811-50-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

731811-50-0 / 2-pyridin-3-ylcyclopropane-1-carboxylic acid

Standard CAS: 731811-50-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
731811-50-0
Multi CAS
Yes
Molecular Formula
C9H9NO2
Molecular Weight
163.170000
Exact Mass
163.063329
InChI
InChI=1S/C9H9NO2/c11-9(12)8-4-7(8)6-2-1-3-10-5-6/h1-3,5,7-8H,4H2,(H,11,12)/t7-,8+/m0/s1
InChIKey
RMVMPLYFCJXMCQ-JGVFFNPUSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.72
TPSA
50.19

LogP / Solubility

WLOGP
1.27
MLOGP
1.11
XLogP3
0.6
Consensus LogP
0.99
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
Class (SILICOS-IT)
Moderately 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)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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