CAS RN: 3923-52-2
1,1-Diphenyl-2-propyn-1-ol
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-146909
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: 1g, 5g, 10g, 25g, 100g, 1000g
- Available purity: >98%
- Inventory rows with stock: 10
- 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 |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Shenzhen | Inquiry |
| 1g | >98% | 5 In Stock | Beijing | Inquiry |
| 5g | -- | 5 In Stock | Shenzhen | Inquiry |
| 5g | >98% | 5 In Stock | Hong Kong | Inquiry |
| 10g | -- | 4 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 4 In Stock | Shanghai | Inquiry |
| 25g | -- | 3 In Stock | Shanghai | Inquiry |
| 25g | >98% | 3 In Stock | Hong Kong | Inquiry |
| 100g | -- | 2 In Stock | Shanghai | Inquiry |
| 100g | >98% | 2 In Stock | Shenzhen | Inquiry |
| 1000g | -- | 0 Out of Stock | Hong Kong | Inquiry |
3923-52-2 / 1,1-diphenylprop-2-yn-1-ol
Basic Information
CAS
3923-52-2
Multi CAS
No
Molecular Formula
C15H12O
Molecular Weight
208.250000
Exact Mass
208.088815
InChI
InChI=1S/C15H12O/c1-2-15(16,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h1,3-12,16H
InChIKey
SMCLTAARQYTXLW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
64.72
TPSA
20.23
LogP / Solubility
WLOGP
2.56
MLOGP
2.25
XLogP3
2.8
Consensus LogP
2.54
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-2.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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