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CAS 10226-28-5 3-ETHOXYCARBONYL-5,6-DIHYDRO-2-METHYL-4H-PYRAN molecular structure lightbox
CAS RN: 10226-28-5

3-ETHOXYCARBONYL-5,6-DIHYDRO-2-METHYL-4H-PYRAN

  • Product code: SSC-003538
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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 10226-28-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

10226-28-5 / ethyl 6-methyl-3,4-dihydro-2H-pyran-5-carboxylate

Ethyl 3,4-dihydro-6-methyl-2H-pyran-5-carboxylate | EINECS 233-543-9 | DTXSID30144845

Standard CAS: 10226-28-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10226-28-5
Multi CAS
Yes
Molecular Formula
C9H14O3
Molecular Weight
170.210000
Exact Mass
170.094294
SMILES
CCOC(=O)C1=C(OCCC1)C
InChI
InChI=1S/C9H14O3/c1-3-11-9(10)8-5-4-6-12-7(8)2/h3-6H2,1-2H3
InChIKey
BWVSWJMSYLYIJA-UHFFFAOYSA-N
Synonyms
Ethyl 3,4-dihydro-6-methyl-2H-pyran-5-carboxylate EINECS 233-543-9 DTXSID30144845 NSC 30277 RefChem:594560

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
44.52
TPSA
35.53

LogP / Solubility

WLOGP
1.63
MLOGP
1.43
XLogP3
1.5
Consensus LogP
1.52
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-2.6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

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