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CAS 28469-52-5 ethyl 6-hydroxycyclohex-1-enecarboxylate molecular structure lightbox
CAS RN: 28469-52-5

ethyl 6-hydroxycyclohex-1-enecarboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250807 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-129840
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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 28469-52-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

28469-52-5 / ethyl 6-hydroxycyclohexene-1-carboxylate

Standard CAS: 28469-52-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28469-52-5
Multi CAS
No
Molecular Formula
C9H14O3
Molecular Weight
170.210000
Exact Mass
170.094294
SMILES
CCOC(=O)C1=CCCCC1O
InChI
InChI=1S/C9H14O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h5,8,10H,2-4,6H2,1H3
InChIKey
UBESRLLLKNDABE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.57
TPSA
46.53

LogP / Solubility

WLOGP
1.02
MLOGP
0.89
XLogP3
1.5
Consensus LogP
1.14
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
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)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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