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CAS 118870-83-0 Ethyl tetrahydro-2H-pyran-3-carboxylate molecular structure lightbox
CAS RN: 118870-83-0

Ethyl tetrahydro-2H-pyran-3-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250930 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-019102
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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 118870-83-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

118870-83-0 / ethyl oxane-3-carboxylate

Ethyl tetrahydro-2H-pyran-3-carboxylate | ETHYL OXANE-3-CARBOXYLATE | MFCD16865221

Standard CAS: 118870-83-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
118870-83-0
Multi CAS
No
Molecular Formula
C8H14O3
Molecular Weight
158.190000
Exact Mass
158.094294
SMILES
CCOC(=O)C1CCCOC1
InChI
InChI=1S/C8H14O3/c1-2-11-8(9)7-4-3-5-10-6-7/h7H,2-6H2,1H3
InChIKey
QWLVUZIISWEWFO-UHFFFAOYSA-N
Synonyms
Ethyl tetrahydro-2H-pyran-3-carboxylate ETHYL OXANE-3-CARBOXYLATE MFCD16865221 2H-Pyran-3-carboxylic acid, tetrahydro-, ethyl ester Tetrahydro-pyran-3-carboxylic acid ethyl ester

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
40.18
TPSA
35.53

LogP / Solubility

WLOGP
0.98
MLOGP
0.85
XLogP3
0.8
Consensus LogP
0.88
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
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)
-2.99

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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