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CAS RN: 361154-31-6
1-METHYL-2-(DIPHENYLPHOSPHINO)TEREPHTHA&
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-143234
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Beijing | Inquiry |
| 0.1g | ≥95% | 1 In Stock | Beijing | Inquiry |
| 0.25g | -- | 1 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 1 In Stock | Beijing | Inquiry |
| 1g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
361154-31-6 / 3-diphenylphosphanyl-4-methoxycarbonylbenzoic acid
Basic Information
CAS
361154-31-6
Multi CAS
Yes
Molecular Formula
C21H17O4P
Molecular Weight
364.300000
Exact Mass
364.086446
InChI
InChI=1S/C21H17O4P/c1-25-21(24)18-13-12-15(20(22)23)14-19(18)26(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14H,1H3,(H,22,23)
InChIKey
WCXGUPASMSAFGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
103.45
TPSA
63.6
LogP / Solubility
WLOGP
2.93
MLOGP
2.6
XLogP3
4
Consensus LogP
3.18
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.86
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
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