CAS RN: 74157-47-4
1-(3-BROMOPHENYL)PROPAN-1-OL
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250728 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS74157-47-4
- Purity/Analytical Methods: >99.0%
74157-47-4 / 1-(3-bromophenyl)propan-1-ol
Basic Information
CAS
74157-47-4
Multi CAS
No
Molecular Formula
C9H11BRO
Molecular Weight
215.090000
Exact Mass
213.999330
InChI
InChI=1S/C9H11BrO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6,9,11H,2H2,1H3
InChIKey
NFRBOGHEHVPWKF-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
49.39
TPSA
20.23
LogP / Solubility
WLOGP
2.89
MLOGP
2.55
XLogP3
2.7
Consensus LogP
2.71
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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