CAS RN: 912368-67-3
3-cyano-3-(2-thienyl)acrylic acid potassium salt
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250306 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS912368-67-3
- Purity/Analytical Methods: >99.0%
912368-67-3 / potassium (E)-3-cyano-3-thiophen-2-ylprop-2-enoate
Basic Information
CAS
912368-67-3
Multi CAS
Yes
Molecular Formula
C8H4KNO2S
Molecular Weight
217.290000
Exact Mass
216.959981
InChI
InChI=1S/C8H5NO2S.K/c9-5-6(4-8(10)11)7-2-1-3-12-7;/h1-4H,(H,10,11);/q;+1/p-1/b6-4-;
InChIKey
BBQSCGRDQRRBAX-YHSAGPEESA-M
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
42.92
TPSA
63.92
LogP / Solubility
WLOGP
-2.59
MLOGP
-2.28
XLogP3
-2.59
Consensus LogP
-2.49
Log S (ESOL)
0.29
Class (ESOL)
Highly soluble
Log S (Ali)
0.53
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.84
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
Methyl 3-(tert-butoxycarbonylamino)picolinate
- CAS RN: 912369-42-7
- Product Code: SSC-204129
-
1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-piperazine
- CAS RN: 912369-50-7
- Product Code: SSC-204130
-
Veliparib
- CAS RN: 912444-00-9
- Product Code: starshine_CAS912444-00-9
- Purity/Analytical method: >99.0%
-
2-[(2S)-2-Methylpyrrolidin-2-yl]-1H-benimidazole-4- carboxamide hydrochloride (1:2)
- CAS RN: 912444-01-0
- Product Code: starshine_CAS912444-01-0
- Purity/Analytical method: >99.0%
-
1-benzyl 3-Methyl pyrrolidine-1,3-dicarboxylate
- CAS RN: 912444-75-8
- Product Code: SSC-204138
![CAS 912369-50-7 1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-piperazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/912369-50-7.gif)
![CAS 912444-01-0 2-[(2S)-2-Methylpyrrolidin-2-yl]-1H-benimidazole-4- carboxamide hydrochloride (1:2) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/912444-01-0.gif)
