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CAS 89111-63-7 trans,trans-4′-Butylbicyclohexyl-4-carboxylic Acid molecular structure lightbox
CAS RN: 89111-63-7

trans,trans-4′-Butylbicyclohexyl-4-carboxylic Acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250811 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-200979
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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: 1g
  • 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 89111-63-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

89111-63-7 / 4-(4-butylcyclohexyl)cyclohexane-1-carboxylic acid

Standard CAS: 89111-63-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89111-63-7
Multi CAS
No
Molecular Formula
C17H30O2
Molecular Weight
266.400000
Exact Mass
266.224580
InChI
InChI=1S/C17H30O2/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19/h13-16H,2-12H2,1H3,(H,18,19)
InChIKey
XYKCCZSKCZRZST-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.94
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
78.06
TPSA
37.3

LogP / Solubility

WLOGP
4.87
MLOGP
4.3
XLogP3
6.2
Consensus LogP
5.12
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.04
Class (SILICOS-IT)
Insoluble

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)
-0.88

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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