CAS RN: 1163698-32-5
Bis(3-bromophenyl)phenylphosphine Oxide
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-016427
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
1163698-32-5 / 1-bromo-3-[(3-bromophenyl)-phenylphosphoryl]benzene
Bis(3-bromophenyl)phenylphosphine oxide | RefChem:568851 | 835-956-5
Basic Information
CAS
1163698-32-5
Multi CAS
No
Molecular Formula
C18H13Br2OP
Molecular Weight
436.100000
Exact Mass
435.905030
SMILES
C1=CC=C(C=C1)P(=O)(C2=CC(=CC=C2)Br)C3=CC(=CC=C3)Br
InChI
InChI=1S/C18H13Br2OP/c19-14-6-4-10-17(12-14)22(21,16-8-2-1-3-9-16)18-11-5-7-15(20)13-18/h1-13H
InChIKey
PKHKPLVXRYPWPO-UHFFFAOYSA-N
Synonyms
Bis(3-bromophenyl)phenylphosphine oxide
RefChem:568851
835-956-5
MFCD32062854
bis(3-bromophenyl)(phenyl)phosphine oxide
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
101.23
TPSA
17.07
LogP / Solubility
WLOGP
4.85
MLOGP
4.3
XLogP3
4.2
Consensus LogP
4.45
Log S (ESOL)
-6.01
Class (ESOL)
Insoluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.88
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)
-1.94
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
