![CAS 19381-40-9 2-bromo-1-[3-(phenylmethoxy)phenyl]ethan-1-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/19381-40-9.gif)
CAS RN: 19381-40-9
2-bromo-1-[3-(phenylmethoxy)phenyl]ethan-1-one
- Product code: SSC-091549
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
19381-40-9 / 2-bromo-1-(3-phenylmethoxyphenyl)ethanone
Basic Information
CAS
19381-40-9
Multi CAS
No
Molecular Formula
C15H13BrO2
Molecular Weight
305.170000
Exact Mass
304.009890
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)CBr
InChI
InChI=1S/C15H13BrO2/c16-10-15(17)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9H,10-11H2
InChIKey
GFZOJLIHCWKKPR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
75.34
TPSA
26.3
LogP / Solubility
WLOGP
3.84
MLOGP
3.39
XLogP3
4.3
Consensus LogP
3.84
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.43
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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