CAS RN: 2851-82-3
o-bis(2,3-epoxypropoxy)benzene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260522 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2851-82-3
- Purity/Analytical Methods: >99.0%
2851-82-3 / 2-[[2-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
Basic Information
CAS
2851-82-3
Multi CAS
No
Molecular Formula
C12H14O4
Molecular Weight
222.240000
Exact Mass
222.089209
SMILES
C1C(O1)COC2=CC=CC=C2OCC3CO3
InChI
InChI=1S/C12H14O4/c1-2-4-12(16-8-10-6-14-10)11(3-1)15-7-9-5-13-9/h1-4,9-10H,5-8H2
InChIKey
NKANYVMWDXJHLE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
56.91
TPSA
43.52
LogP / Solubility
WLOGP
1.24
MLOGP
1.1
XLogP3
1.1
Consensus LogP
1.15
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-3.19
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
2.5
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