CAS RN: 198195-25-4
ethyl (E)-3-(4-aminophenyl)prop-2-enoate
Product Availability
Choose a grade to view its available package options.
6 package records0 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251009 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS198195-25-4
- Purity/Analytical Methods: >99.0%
198195-25-4 / ethyl (E)-3-(4-aminophenyl)prop-2-enoate
Basic Information
CAS
198195-25-4
Multi CAS
No
Molecular Formula
C11H13NO2
Molecular Weight
191.230000
Exact Mass
191.094629
SMILES
CCOC(=O)/C=C/C1=CC=C(C=C1)N
InChI
InChI=1S/C11H13NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2,12H2,1H3/b8-5+
InChIKey
NRPMBSHHBFFYBF-VMPITWQZSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.52
TPSA
52.32
LogP / Solubility
WLOGP
1.85
MLOGP
1.62
XLogP3
2.3
Consensus LogP
1.92
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.58
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
-
Methyl 3-amino-7-methoxybenzo[b]thiophene-2-carboxylate
- CAS RN: 198204-08-9
- Product Code: SSC-093397
-
2′-TRIFLUOROMETHYLBIPHENYL-4-CARBOXYLIC ACID
- CAS RN: 198205-79-7
- Product Code: SSC-093403
-
2′-TRIFLUOROMETHYL-BIPHENYL-4-CARBALDEHYDE
- CAS RN: 198205-95-7
- Product Code: starshine_CAS198205-95-7
- Purity/Analytical method: >99.0%
-
tert-butyl (1R,8S)-3-azabicyclo[3.2.1]octan-8-ylcarbaMate
- CAS RN: 198210-17-2
- Product Code: SSC-093407
-
3-Pyrrolidinamine, 1-benzoyl- (9CI)
- CAS RN: 198210-81-0
- Product Code: starshine_CAS198210-81-0
- Purity/Analytical method: >99.0%
![CAS 198204-08-9 Methyl 3-amino-7-methoxybenzo[b]thiophene-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/198204-08-9.gif)
![CAS 198210-17-2 tert-butyl (1R,8S)-3-azabicyclo[3.2.1]octan-8-ylcarbaMate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/198210-17-2.gif)
