CAS RN: 1427385-06-5
(5-bromo-2-ethylphenyl)methanol
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.20260305 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1427385-06-5
- Purity/Analytical Methods: >99.0%
1427385-06-5 / (5-bromo-2-ethylphenyl)methanol
Basic Information
CAS
1427385-06-5
Multi CAS
No
Molecular Formula
C9H11BrO
Molecular Weight
215.090000
Exact Mass
213.999330
SMILES
CCC1=C(C=C(C=C1)Br)CO
InChI
InChI=1S/C9H11BrO/c1-2-7-3-4-9(10)5-8(7)6-11/h3-5,11H,2,6H2,1H3
InChIKey
JTSOKPHJUZMCFH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.44
TPSA
20.23
LogP / Solubility
WLOGP
2.5
MLOGP
2.21
XLogP3
2.5
Consensus LogP
2.4
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
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)
-2.25
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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