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CAS 83626-35-1 4-(trans-4-Butylcyclohexyl)benzoic Acid molecular structure lightbox
CAS RN: 83626-35-1

4-(trans-4-Butylcyclohexyl)benzoic Acid

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251021 100g Out of stock Inquiry
Batchno.20250318 25g Out of stock Inquiry
Batchno.20250917 500g Out of stock Inquiry
  • Product code: SSC-191388
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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: ＞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 83626-35-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Hong Kong Inquiry

83626-35-1 / 4-(4-butylcyclohexyl)benzoic acid

Standard CAS: 83626-35-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83626-35-1
Multi CAS
Yes
Molecular Formula
C17H24O2
Molecular Weight
260.400000
Exact Mass
260.177630
InChI
InChI=1S/C17H24O2/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19/h9-14H,2-8H2,1H3,(H,18,19)
InChIKey
BFZJIPFMDIHKKI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
77.63
TPSA
37.3

LogP / Solubility

WLOGP
4.85
MLOGP
4.27
XLogP3
5.9
Consensus LogP
5.01
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.87

Drug-likeness / Medicinal Chemistry

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

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