CAS RN: 16197-90-3
AMMA-CHLOROCROTONICACID
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251015 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-069455
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
16197-90-3 / (E)-4-chlorobut-2-enoic acid
Basic Information
CAS
16197-90-3
Multi CAS
No
Molecular Formula
C4H5ClO2
Molecular Weight
120.530000
Exact Mass
119.997807
SMILES
C(/C=C/C(=O)O)Cl
InChI
InChI=1S/C4H5ClO2/c5-3-1-2-4(6)7/h1-2H,3H2,(H,6,7)/b2-1+
InChIKey
TVOMCUWVZVBDBG-OWOJBTEDSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
27.5
TPSA
37.3
LogP / Solubility
WLOGP
0.87
MLOGP
0.75
XLogP3
0.6
Consensus LogP
0.74
Log S (ESOL)
-1
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.4
Class (SILICOS-IT)
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)
-2.84
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
-
(+)-Catechin-pentaacetate
- CAS RN: 16198-01-9
- Product Code: starshine_CAS16198-01-9
- Purity/Analytical method: >99.0%
-
-
(trans,trans)-[1,1′-Bicyclohexyl]-4,4′-dicarboxylic acid
- CAS RN: 16200-85-4
- Product Code: starshine_CAS16200-85-4
- Purity/Analytical method: >99.0%
-
-
-
![CAS 16200-85-4 (trans,trans)-[1,1′-Bicyclohexyl]-4,4′-dicarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16200-85-4.gif)
![CAS 16205-44-0 ETHYL PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16205-44-0.gif)