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CAS 324767-92-2 ethyl 5-hydroxy-3,6-dihydro-2H-pyran-4-carboxylate molecular structure lightbox
CAS RN: 324767-92-2

ethyl 5-hydroxy-3,6-dihydro-2H-pyran-4-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260323 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS324767-92-2
  • Purity/Analytical Methods: >99.0%
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324767-92-2 / ethyl 5-hydroxy-3,6-dihydro-2H-pyran-4-carboxylate

Standard CAS: 324767-92-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
324767-92-2
Multi CAS
No
Molecular Formula
C8H12O4
Molecular Weight
172.180000
Exact Mass
172.073559
InChI
InChI=1S/C8H12O4/c1-2-12-8(10)6-3-4-11-5-7(6)9/h9H,2-5H2,1H3
InChIKey
VOKQEANCCLGFQI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.62
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.72
TPSA
55.76

LogP / Solubility

WLOGP
0.78
MLOGP
0.68
XLogP3
0.6
Consensus LogP
0.69
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-3.22

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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