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CAS 113296-33-6 (4-ethylcyclohexyl)methanol molecular structure lightbox
CAS RN: 113296-33-6

(4-ethylcyclohexyl)methanol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250203 100mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-013455
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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: ≥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 113296-33-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

113296-33-6 / (4-ethylcyclohexyl)methanol

(4-ethylcyclohexyl)methanol | trans-4-Ethyl-cyclohexanemethanol | Cyclohexanemethanol, 4-ethyl-

Standard CAS: 113296-33-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
113296-33-6
Multi CAS
No
Molecular Formula
C9H18O
Molecular Weight
142.240000
Exact Mass
142.135765
SMILES
CCC1CCC(CC1)CO
InChI
InChI=1S/C9H18O/c1-2-8-3-5-9(7-10)6-4-8/h8-10H,2-7H2,1H3
InChIKey
YSQZCEWPPUAANL-UHFFFAOYSA-N
Synonyms
(4-ethylcyclohexyl)methanol trans-4-Ethyl-cyclohexanemethanol Cyclohexanemethanol, 4-ethyl- MFCD20407987 [(1s,4r)-4-ethylcyclohexyl]methanol

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.82
TPSA
20.23

LogP / Solubility

WLOGP
2.2
MLOGP
1.92
XLogP3
2.7
Consensus LogP
2.27
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately 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)
-2.03

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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