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CAS 2212-07-9 2-[(2,4-DICHLOROPHENOXY)METHYL]OXIRANE molecular structure lightbox
CAS RN: 2212-07-9

2-[(2,4-DICHLOROPHENOXY)METHYL]OXIRANE

  • Product code: SSC-106423
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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: 0.25g
  • 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 2212-07-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

2212-07-9 / 2-[(2,4-dichlorophenoxy)methyl]oxirane

Standard CAS: 2212-07-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2212-07-9
Multi CAS
No
Molecular Formula
C9H8Cl2O2
Molecular Weight
219.060000
Exact Mass
217.990135
SMILES
C1C(O1)COC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C9H8Cl2O2/c10-6-1-2-9(8(11)3-6)13-5-7-4-12-7/h1-3,7H,4-5H2
InChIKey
NTMMJCXPHYKNSP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
51.7
TPSA
21.76

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
3.4
Consensus LogP
2.87
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
Class (SILICOS-IT)
Poorly 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)
-2.09

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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