CAS RN: 945589-08-2
(E)-ethyl3-(4-bromothiophen-2-yl)acrylate(WX191822)
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.20250311 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS945589-08-2
- Purity/Analytical Methods: >99.0%
945589-08-2 / ethyl (E)-3-(4-bromothiophen-2-yl)prop-2-enoate
Basic Information
CAS
945589-08-2
Multi CAS
Yes
Molecular Formula
C9H9BRO2S
Molecular Weight
261.140000
Exact Mass
259.950660
InChI
InChI=1S/C9H9BrO2S/c1-2-12-9(11)4-3-8-5-7(10)6-13-8/h3-6H,2H2,1H3/b4-3+
InChIKey
TWDQFDCXBLRQDR-ONEGZZNKSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
57.69
TPSA
26.3
LogP / Solubility
WLOGP
3.09
MLOGP
2.72
XLogP3
3
Consensus LogP
2.94
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly 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)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
AMG 900
- CAS RN: 945595-80-2
- Product Code: starshine_CAS945595-80-2
- Purity/Analytical method: >99.0%
-
-
1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLIC ACID,4-CHLORO-, 1,1-DIMETHYLETHYL ESTER
- CAS RN: 945599-50-8
- Product Code: SSC-209624
-
-
(S)-BoroLeu-(-)-Pinanediol-hydrochloride
- CAS RN: 945606-99-5
- Product Code: starshine_CAS945606-99-5
- Purity/Analytical method: >99.0%
-
1H-PYRROLO[2,3-B]PYRIDINE,3-IODO-1-METHYL-2-PHENYL-
- CAS RN: 945608-15-1
- Product Code: starshine_CAS945608-15-1
- Purity/Analytical method: >99.0%
![CAS 945599-50-8 1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLIC ACID,4-CHLORO-, 1,1-DIMETHYLETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/945599-50-8.gif)
![CAS 945608-15-1 1H-PYRROLO[2,3-B]PYRIDINE,3-IODO-1-METHYL-2-PHENYL- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/945608-15-1.gif)