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CAS 15840-96-7 cyclohexyl cyclohexanecarboxylate molecular structure lightbox
CAS RN: 15840-96-7

cyclohexyl cyclohexanecarboxylate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250115 1g In stock Inquiry
Batchno.20250801 250mg In stock Inquiry
Batchno.20250719 50mg In stock Inquiry
Batchno.20260223 5g In stock Inquiry
  • Product code: SSC-066800
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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: 0.1g, 0.25g, 1g, 5g
  • 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 15840-96-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry
5g ≥95% 2 In Stock Beijing Inquiry

15840-96-7 / cyclohexyl cyclohexanecarboxylate

Standard CAS: 15840-96-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15840-96-7
Multi CAS
No
Molecular Formula
C13H22O2
Molecular Weight
210.310000
Exact Mass
210.161980
SMILES
C1CCC(CC1)C(=O)OC2CCCCC2
InChI
InChI=1S/C13H22O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKey
VJCWGXGMXAVKJU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
59.54
TPSA
26.3

LogP / Solubility

WLOGP
3.44
MLOGP
3.03
XLogP3
4
Consensus LogP
3.49
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
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)
-1.56

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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