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CAS 540490-54-8 Cyclopentanecarboxylic acid, 1-cyano- molecular structure lightbox
CAS RN: 540490-54-8

Cyclopentanecarboxylic acid, 1-cyano-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250313 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-161561
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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 540490-54-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

540490-54-8 / 1-cyanocyclopentane-1-carboxylic acid

Standard CAS: 540490-54-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
540490-54-8
Multi CAS
No
Molecular Formula
C7H9NO2
Molecular Weight
139.150000
Exact Mass
139.063329
InChI
InChI=1S/C7H9NO2/c8-5-7(6(9)10)3-1-2-4-7/h1-4H2,(H,9,10)
InChIKey
QNDGUJXCOJMPNP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.15
TPSA
61.09

LogP / Solubility

WLOGP
1.15
MLOGP
1.01
XLogP3
1.1
Consensus LogP
1.09
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
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)
-2.75

Drug-likeness / Medicinal Chemistry

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

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