CAS RN: 885069-29-4
2-(5-bromo-2-chlorophenyl)propan-2-ol
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.20250509 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS885069-29-4
- Purity/Analytical Methods: >99.0%
885069-29-4 / 2-(5-bromo-2-chlorophenyl)propan-2-ol
Basic Information
CAS
885069-29-4
Multi CAS
No
Molecular Formula
C9H10BRCLO
Molecular Weight
249.530000
Exact Mass
247.960360
InChI
InChI=1S/C9H10BrClO/c1-9(2,12)7-5-6(10)3-4-8(7)11/h3-5,12H,1-2H3
InChIKey
WPXONSYGPGWBPM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.4
TPSA
20.23
LogP / Solubility
WLOGP
3.33
MLOGP
2.94
XLogP3
2.9
Consensus LogP
3.06
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly 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)
-1.88
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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