CAS RN: 66270-97-1
Phenacyl 4-(Bromomethyl)phenylacetate
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-175910
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: 10g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 10g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
66270-97-1 / phenacyl 2-[4-(bromomethyl)phenyl]acetate
Basic Information
CAS
66270-97-1
Multi CAS
No
Molecular Formula
C17H15BRO3
Molecular Weight
347.200000
Exact Mass
346.020460
InChI
InChI=1S/C17H15BrO3/c18-11-14-8-6-13(7-9-14)10-17(20)21-12-16(19)15-4-2-1-3-5-15/h1-9H,10-12H2
InChIKey
BUQPIKAEKYNDAS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
84.51
TPSA
43.37
LogP / Solubility
WLOGP
3.55
MLOGP
3.14
XLogP3
3.7
Consensus LogP
3.46
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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