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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Beijing | Inquiry |
58263-67-5 / [chloro(diphenoxyphosphoryl)methyl]benzene
Basic Information
CAS
58263-67-5
Multi CAS
Yes
Molecular Formula
C19H16CLO3P
Molecular Weight
358.800000
Exact Mass
358.052559
InChI
InChI=1S/C19H16ClO3P/c20-19(16-10-4-1-5-11-16)24(21,22-17-12-6-2-7-13-17)23-18-14-8-3-9-15-18/h1-15,19H
InChIKey
LTRZPFCYQMGZGD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
96.78
TPSA
35.53
LogP / Solubility
WLOGP
6.28
MLOGP
5.54
XLogP3
5.3
Consensus LogP
5.71
Log S (ESOL)
-6.18
Class (ESOL)
Insoluble
Log S (Ali)
-7.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.92
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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Butyltriphenylphosphonium Chloride
- CAS RN: 13371-17-0
- Product Code: ICTB5730
- Purity/Analytical method: >98.0%(T)(HPLC)
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