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CAS 80443-63-6 2-tert-Butyl-2-[2-(4-chlorophenyl)ethyl]oxirane molecular structure lightbox
CAS RN: 80443-63-6

2-tert-Butyl-2-[2-(4-chlorophenyl)ethyl]oxirane

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260701 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250308 100g In stock Shanghai Inquiry
Batchno.20260611 25g In stock Shanghai Inquiry
Batchno.20250413 5g In stock Shanghai Inquiry
  • Product code: ICTB3290
  • Purity/Analytical Methods: >96.0%(GC)
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80443-63-6 / 2-tert-butyl-2-[2-(4-chlorophenyl)ethyl]oxirane

Standard CAS: 80443-63-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
80443-63-6
Multi CAS
Yes
Molecular Formula
C14H19CLO
Molecular Weight
238.750000
Exact Mass
238.112443
InChI
InChI=1S/C14H19ClO/c1-13(2,3)14(10-16-14)9-8-11-4-6-12(15)7-5-11/h4-7H,8-10H2,1-3H3
InChIKey
QLCGXXYDHCTVKP-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
67.91
TPSA
12.53

LogP / Solubility

WLOGP
4.09
MLOGP
3.6
XLogP3
4.4
Consensus LogP
4.03
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.27

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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