CAS RN: 156755-25-8
5-Bromo-gamma-phenyl-2-(phenylmethoxy)benzenepropanol
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.20250112 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS156755-25-8
- Purity/Analytical Methods: >99.0%
156755-25-8 / 3-(5-bromo-2-phenylmethoxyphenyl)-3-phenylpropan-1-ol
Basic Information
CAS
156755-25-8
Multi CAS
No
Molecular Formula
C22H21BrO2
Molecular Weight
397.300000
Exact Mass
396.072490
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C(CCO)C3=CC=CC=C3
InChI
InChI=1S/C22H21BrO2/c23-19-11-12-22(25-16-17-7-3-1-4-8-17)21(15-19)20(13-14-24)18-9-5-2-6-10-18/h1-12,15,20,24H,13-14,16H2
InChIKey
KJMCZWJBHWBPNB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.18
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
1
Molar refractivity
104.9
TPSA
29.46
LogP / Solubility
WLOGP
5.54
MLOGP
4.9
XLogP3
5.5
Consensus LogP
5.31
Log S (ESOL)
-5.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.68
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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