CAS RN: 844694-47-9
4-Chloro-3-fluorocinnamic acid
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.20260308 | 250mg / 1g / 5g / 10g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS844694-47-9
- Purity/Analytical Methods: >99.0%
844694-47-9 / 3-(4-chloro-3-fluorophenyl)prop-2-enoic acid
Basic Information
CAS
844694-47-9
Multi CAS
Yes
Molecular Formula
C9H6CLFO2
Molecular Weight
200.590000
Exact Mass
200.004035
InChI
InChI=1S/C9H6ClFO2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChIKey
MNELKRQRBRYHBV-DUXPYHPUSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.08
TPSA
37.3
LogP / Solubility
WLOGP
2.58
MLOGP
2.27
XLogP3
2.6
Consensus LogP
2.48
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly 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)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
Donepezil Benzyl Bromide (Donepezil Impurity)
- CAS RN: 844694-85-5
- Product Code: SSC-191967
-
-
tert-butyl isopropyl(2-oxoethyl)carbaMate
- CAS RN: 844851-97-4
- Product Code: starshine_CAS844851-97-4
- Purity/Analytical method: >99.0%
-
-
IFN alpha-IFNAR-IN-1
- CAS RN: 844882-93-5
- Product Code: starshine_CAS844882-93-5
- Purity/Analytical method: >99.0%
