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CAS 38792-89-1 4-Pentylcyclohexanecarboxylic Acid (cis- and trans- mixture) molecular structure lightbox
CAS RN: 38792-89-1

4-Pentylcyclohexanecarboxylic Acid (cis- and trans- mixture)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260206 1g In stock Shanghai Inquiry
  • Product code: SSC-146420
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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: 0
  • 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 38792-89-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g 0 0 Out of Stock Shenzhen Inquiry

38792-89-1 / 4-pentylcyclohexane-1-carboxylic acid

Standard CAS: 38792-89-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
38792-89-1
Multi CAS
Yes
Molecular Formula
C12H22O2
Molecular Weight
198.300000
Exact Mass
198.161980
InChI
InChI=1S/C12H22O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h10-11H,2-9H2,1H3,(H,13,14)
InChIKey
RVLAXPQGTRTHEV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.92
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.23
TPSA
37.3

LogP / Solubility

WLOGP
3.46
MLOGP
3.04
XLogP3
4.3
Consensus LogP
3.6
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly 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)
-1.47

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

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