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, 0.1g, 0.25g, 5g
- 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.
7218-52-2 / 4-hydroxybut-2-ynoic acid
Basic Information
CAS
7218-52-2
Multi CAS
No
Molecular Formula
C4H4O3
Molecular Weight
100.070000
Exact Mass
100.016044
InChI
InChI=1S/C4H4O3/c5-3-1-2-4(6)7/h5H,3H2,(H,6,7)
InChIKey
QVYMWMSAXULCMW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
2
Molar refractivity
22.5
TPSA
57.53
LogP / Solubility
WLOGP
-0.93
MLOGP
-0.83
XLogP3
-0.5
Consensus LogP
-0.75
Log S (ESOL)
0.13
Class (ESOL)
Highly soluble
Log S (Ali)
0.29
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.46
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-3.99
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
Customers Also Viewed
-
AFLATOXIN B2
- CAS RN: 7220-81-7
- Product Code: starshine_CAS7220-81-7
- Purity/Analytical method: >99.0%
-
-
-
-
-
![CAS 7224-81-9 9-Methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/7224-81-9.gif)
