CAS RN: 877399-29-6
2-(4-BROMO-2-METHOXYPHENOXY)ETHANOL
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.20251013 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS877399-29-6
- Purity/Analytical Methods: >99.0%
877399-29-6 / 2-(4-bromo-2-methoxyphenoxy)ethanol
Basic Information
CAS
877399-29-6
Multi CAS
No
Molecular Formula
C9H11BRO3
Molecular Weight
247.090000
Exact Mass
245.989160
InChI
InChI=1S/C9H11BrO3/c1-12-9-6-7(10)2-3-8(9)13-5-4-11/h2-3,6,11H,4-5H2,1H3
InChIKey
OBTNRJHVCRRFPZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.27
TPSA
38.69
LogP / Solubility
WLOGP
1.83
MLOGP
1.61
XLogP3
1.9
Consensus LogP
1.78
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
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)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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