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CAS 116941-05-0 Cyclohexaneacetic acid, 4-hydroxy-, Ethyl ester, trans- molecular structure lightbox
CAS RN: 116941-05-0

Cyclohexaneacetic acid, 4-hydroxy-, Ethyl ester, trans-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260101 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-016760
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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
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 116941-05-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Shanghai Inquiry

116941-05-0 / ethyl 2-(4-hydroxycyclohexyl)acetate

Ethyl 2-(4-hydroxycyclohexyl)acetate | 4-Hydroxycyclohexaneacetic acid ethyl ester | Ethyl trans-2-(4-hydroxycyclohexyl)acetate

Standard CAS: 116941-05-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
116941-05-0
Multi CAS
No
Molecular Formula
C10H18O3
Molecular Weight
186.250000
Exact Mass
186.125594
SMILES
CCOC(=O)CC1CCC(CC1)O
InChI
InChI=1S/C10H18O3/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h8-9,11H,2-7H2,1H3
InChIKey
BPAISSGMOOLICG-UHFFFAOYSA-N
Synonyms
Ethyl 2-(4-hydroxycyclohexyl)acetate 4-Hydroxycyclohexaneacetic acid ethyl ester Ethyl trans-2-(4-hydroxycyclohexyl)acetate Cyclohexaneacetic acid, 4-hydroxy-, ethyl ester, trans- MFCD13659407

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.21
TPSA
46.53

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
1.3
Consensus LogP
1.37
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-2.8

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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