CAS RN: 82475-76-1
3-(2,4-Dichloro-phenyl)-acrylic acid methyl ester
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.20250607 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS82475-76-1
- Purity/Analytical Methods: >99.0%
82475-76-1 / methyl (E)-3-(2,4-dichlorophenyl)prop-2-enoate
Basic Information
CAS
82475-76-1
Multi CAS
Yes
Molecular Formula
C10H8CL2O2
Molecular Weight
231.070000
Exact Mass
229.990135
InChI
InChI=1S/C10H8Cl2O2/c1-14-10(13)5-3-7-2-4-8(11)6-9(7)12/h2-6H,1H3/b5-3+
InChIKey
RVBQSTISRBKZTG-HWKANZROSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
57.51
TPSA
26.3
LogP / Solubility
WLOGP
3.18
MLOGP
2.8
XLogP3
3.3
Consensus LogP
3.09
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
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)
-1.87
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
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