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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
71360-04-8 / bis(2-methoxyphenyl)-oxophosphanium
Basic Information
CAS
71360-04-8
Multi CAS
No
Molecular Formula
C14H14O3P
Molecular Weight
261.230000
Exact Mass
261.068056
InChI
InChI=1S/C14H14O3P/c1-16-11-7-3-5-9-13(11)18(15)14-10-6-4-8-12(14)17-2/h3-10H,1-2H3/q+1
InChIKey
MWYXORYWUKRJEX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
72.86
TPSA
35.53
LogP / Solubility
WLOGP
2.48
MLOGP
2.19
XLogP3
2.4
Consensus LogP
2.36
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 71386-38-4 (1aR)-1,1aβ,4,5,7,8,9,9aβ-Octahydro-3-hydroxy-1,1,2,5β-tetramethyl-7-methylene-6H-cyclopropa[3,4]cyclohept[1,2-e]inden-6-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/71386-38-4.gif)
