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CAS 1449781-57-0 ethyl 2-((1r,4r)-4-(4-hydroxyphenyl)cyclohexyl)acetate molecular structure lightbox
CAS RN: 1449781-57-0

ethyl 2-((1r,4r)-4-(4-hydroxyphenyl)cyclohexyl)acetate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251110 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-056364
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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 1449781-57-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1449781-57-0 / ethyl 2-[4-(4-hydroxyphenyl)cyclohexyl]acetate

Standard CAS: 1449781-57-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1449781-57-0
Multi CAS
No
Molecular Formula
C16H22O3
Molecular Weight
262.340000
Exact Mass
262.156895
SMILES
CCOC(=O)CC1CCC(CC1)C2=CC=C(C=C2)O
InChI
InChI=1S/C16H22O3/c1-2-19-16(18)11-12-3-5-13(6-4-12)14-7-9-15(17)10-8-14/h7-10,12-13,17H,2-6,11H2,1H3
InChIKey
WLMFBRAZTIRYAO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.06
TPSA
46.53

LogP / Solubility

WLOGP
3.62
MLOGP
3.19
XLogP3
4
Consensus LogP
3.6
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.85
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)
-1.75

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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