CAS RN: 104201-65-2
2-Propenoic acid, 3-(2-fluorophenyl)-, Methyl ester, (E)-
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.20251104 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS104201-65-2
- Purity/Analytical Methods: >99.0%
104201-65-2 / methyl (E)-3-(2-fluorophenyl)prop-2-enoate
methyl 3-(2-fluorophenyl)prop-2-enoate | 2-Propenoic acid, 3-(2-fluorophenyl)-, methyl ester | Methyl 2-fluorocinnamate
Basic Information
CAS
104201-65-2
Multi CAS
Yes
Molecular Formula
C10H9FO2
Molecular Weight
180.170000
Exact Mass
180.058658
SMILES
COC(=O)/C=C/C1=CC=CC=C1F
InChI
InChI=1S/C10H9FO2/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-7H,1H3/b7-6+
InChIKey
HEGMSNMENPDWJB-VOTSOKGWSA-N
Synonyms
methyl 3-(2-fluorophenyl)prop-2-enoate
2-Propenoic acid, 3-(2-fluorophenyl)-, methyl ester
Methyl 2-fluorocinnamate
SCHEMBL149581
DTXSID60363229
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
47.45
TPSA
26.3
LogP / Solubility
WLOGP
2.01
MLOGP
1.77
XLogP3
2.3
Consensus LogP
2.03
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.74
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)
-2.39
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
-
![CAS 104201-66-3 (2E)-3-[3-(Trifluoromethyl)phenyl]-2-propenoic acid methyl ester molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(2E)-3-[3-(Trifluoromethyl)phenyl]-2-propenoic acid methyl ester
- CAS RN: 104201-66-3
- Product Code: SSC-005967
-
2(1H)-NAPHTHALENONE, 6-FLUORO-3,4-DIHYDRO-1-(1-METHYLETHYL)-
- CAS RN: 104204-91-3
- Product Code: SSC-005969
-
(S)-6-FLUORO-1-ISOPROPYL-3,4-DIHYDRO-1H-NAPHTHALEN-2-ONE
- CAS RN: 104205-01-8
- Product Code: SSC-005970
-
-
4-AMINO-6-METHOXY-2-METHYLQUINOLINE
- CAS RN: 104217-23-4
- Product Code: starshine_CAS104217-23-4
- Purity/Analytical method: >99.0%
-
![CAS 104201-66-3 (2E)-3-[3-(Trifluoromethyl)phenyl]-2-propenoic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/104201-66-3.gif)
