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CAS 19936-22-2 BENZOIC ACID, 4-CYCLOPENTYL- molecular structure lightbox
CAS RN: 19936-22-2

BENZOIC ACID, 4-CYCLOPENTYL-

  • Product code: SSC-093884
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 19936-22-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >95% 2 In Stock Shenzhen Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Hong Kong Inquiry

19936-22-2 / 4-cyclopentylbenzoic acid

Standard CAS: 19936-22-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19936-22-2
Multi CAS
No
Molecular Formula
C12H14O2
Molecular Weight
190.240000
Exact Mass
190.099380
SMILES
C1CCC(C1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C12H14O2/c13-12(14)11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9H,1-4H2,(H,13,14)
InChIKey
URANGAMHASGWGX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.61
TPSA
37.3

LogP / Solubility

WLOGP
3.04
MLOGP
2.68
XLogP3
3.6
Consensus LogP
3.11
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-1.72

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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