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CAS 4677-19-4 4-(2-chloroethyl)-tetrahydro-2H-pyran molecular structure lightbox
CAS RN: 4677-19-4

4-(2-chloroethyl)-tetrahydro-2H-pyran

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250403 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS4677-19-4
  • Purity/Analytical Methods: >99.0%
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4677-19-4 / 4-(2-chloroethyl)oxane

Standard CAS: 4677-19-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4677-19-4
Multi CAS
No
Molecular Formula
C7H13CLO
Molecular Weight
148.630000
Exact Mass
148.065493
InChI
InChI=1S/C7H13ClO/c8-4-1-7-2-5-9-6-3-7/h7H,1-6H2
InChIKey
JYHQKKQUFZIKMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
38.88
TPSA
9.23

LogP / Solubility

WLOGP
2.04
MLOGP
1.79
XLogP3
1.8
Consensus LogP
1.88
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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