CAS RN: 461432-22-4
(5-Bromo-2-Chlorophenyl)(4-Ethoxyphenyl)Methanone
- Product code: SSC-153689
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: 100g
- 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 |
|---|---|---|---|---|
| 100g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
461432-22-4 / (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone
Basic Information
CAS
461432-22-4
Multi CAS
No
Molecular Formula
C15H12BRCLO2
Molecular Weight
339.610000
Exact Mass
337.970920
InChI
InChI=1S/C15H12BrClO2/c1-2-19-12-6-3-10(4-7-12)15(18)13-9-11(16)5-8-14(13)17/h3-9H,2H2,1H3
InChIKey
OEURLNJEQCLGPS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
80.2
TPSA
26.3
LogP / Solubility
WLOGP
4.73
MLOGP
4.18
XLogP3
4.9
Consensus LogP
4.6
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.28
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
No
Log Kp (skin permeation)
-1.43
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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