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CAS 3308-94-9 2-(3-Chloropropyl)-2-(4-fluorophenyl)-1,3-dioxolane molecular structure lightbox
CAS RN: 3308-94-9

2-(3-Chloropropyl)-2-(4-fluorophenyl)-1,3-dioxolane

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250722 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260315 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: ICTC2908
  • Purity/Analytical Methods: >98.0%(GC)
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3308-94-9 / 4-(3-chloropropyl)-4-(4-fluorophenyl)-1,3-dioxolane

Standard CAS: 3308-94-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3308-94-9
Multi CAS
Yes
Molecular Formula
C12H14CLFO2
Molecular Weight
244.690000
Exact Mass
244.066636
InChI
InChI=1S/C12H14ClFO2/c13-7-1-6-12(8-15-9-16-12)10-2-4-11(14)5-3-10/h2-5H,1,6-9H2
InChIKey
NHKTWTJPGLFCQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
59.94
TPSA
18.46

LogP / Solubility

WLOGP
3.04
MLOGP
2.68
XLogP3
2.6
Consensus LogP
2.77
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly 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)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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