CAS RN: 3240-10-6
3-(4-Chlorophenyl)propiolic Acid
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: SSC-137970
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: 0.25g, 1g, 5g, 10g, 25g
- Available purity: >98%
- 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 |
|---|---|---|---|---|
| 0.25g | >98% | 1 In Stock | Beijing | Inquiry |
| 1g | >98% | 1 In Stock | Shenzhen | Inquiry |
| 5g | >98% | 1 In Stock | Shanghai | Inquiry |
| 10g | >98% | 1 In Stock | Beijing | Inquiry |
| 25g | >98% | 0 Out of Stock | Shenzhen | Inquiry |
3240-10-6 / 3-(4-chlorophenyl)prop-2-ynoic acid
Basic Information
CAS
3240-10-6
Multi CAS
No
Molecular Formula
C9H5CLO2
Molecular Weight
180.590000
Exact Mass
179.997807
InChI
InChI=1S/C9H5ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,(H,11,12)
InChIKey
HXUUKDJAFBRYMD-UHFFFAOYSA-N
Physical Properties
Melting Point
192-193 °C
Physical Description
Solid; [HSDB]
Appearance
CRYSTALS FROM ACETIC ACID; PLATES FROM BENZENE
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.97
TPSA
37.3
LogP / Solubility
WLOGP
1.78
MLOGP
1.56
XLogP3
2.7
Consensus LogP
2.01
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
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
