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 | Hong Kong | Inquiry |
15754-53-7 / bis(4-bromophenyl)-oxophosphanium
Basic Information
CAS
15754-53-7
Multi CAS
No
Molecular Formula
C12H8Br2OP+
Molecular Weight
358.970000
Exact Mass
358.865900
SMILES
C1=CC(=CC=C1[P+](=O)C2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C12H8Br2OP/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H/q+1
InChIKey
JBLNWSGQNNTQJW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
75.16
TPSA
17.07
LogP / Solubility
WLOGP
3.99
MLOGP
3.53
XLogP3
3.9
Consensus LogP
3.81
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.54
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
Yes
Log Kp (skin permeation)
-2.08
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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