[email protected]
CAS 2212-05-7 4-CHLOROPHENYL GLYCIDYL ETHER molecular structure lightbox
CAS RN: 2212-05-7

4-CHLOROPHENYL GLYCIDYL ETHER

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260529 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2212-05-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2212-05-7 / 2-[(4-chlorophenoxy)methyl]oxirane

Standard CAS: 2212-05-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2212-05-7
Multi CAS
No
Molecular Formula
C9H9ClO2
Molecular Weight
184.620000
Exact Mass
184.029107
SMILES
C1C(O1)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C9H9ClO2/c10-7-1-3-8(4-2-7)11-5-9-6-12-9/h1-4,9H,5-6H2
InChIKey
KSLSZOOZWRMSAP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
46.69
TPSA
21.76

LogP / Solubility

WLOGP
2.12
MLOGP
1.86
XLogP3
2.2
Consensus LogP
2.06
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.34

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
2

Customers Also Viewed

Get In Touch

Contact Us