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CAS 117929-79-0 (E)-3-cyclopentylacrylic acid molecular structure lightbox
CAS RN: 117929-79-0

(E)-3-cyclopentylacrylic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250826 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-017754
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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 117929-79-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

117929-79-0 / 3-cyclopentylprop-2-enoic acid

(E)-3-CYCLOPENTYLACRYLIC ACID | (E)-3-cyclopentylprop-2-enoic Acid | MFCD03002843

Standard CAS: 117929-79-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
117929-79-0
Multi CAS
Yes
Molecular Formula
C8H12O2
Molecular Weight
140.180000
Exact Mass
140.083730
SMILES
C1CCC(C1)C=CC(=O)O
InChI
InChI=1S/C8H12O2/c9-8(10)6-5-7-3-1-2-4-7/h5-7H,1-4H2,(H,9,10)/b6-5+
InChIKey
MPRHIJJKVGFXRS-AATRIKPKSA-N
Synonyms
(E)-3-CYCLOPENTYLACRYLIC ACID (E)-3-cyclopentylprop-2-enoic Acid MFCD03002843 2-Propenoic acid, 3-cyclopentyl-, (2E)- (2E)-3-Cyclopentyl-2-propenoic acid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.73
TPSA
37.3

LogP / Solubility

WLOGP
1.82
MLOGP
1.59
XLogP3
2.2
Consensus LogP
1.87
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501

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