CAS RN: 868697-78-3
2-(3,4-DICHLOROPHENYL)ACETAMIDE
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.20260516 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS868697-78-3
- Purity/Analytical Methods: >99.0%
868697-78-3 / 2-(3,4-dichlorophenyl)acetamide
Basic Information
CAS
868697-78-3
Multi CAS
No
Molecular Formula
C8H7CL2NO
Molecular Weight
204.050000
Exact Mass
202.990469
InChI
InChI=1S/C8H7Cl2NO/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H2,11,12)
InChIKey
ZZEVQJYIDJSWPF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.36
TPSA
43.09
LogP / Solubility
WLOGP
2.02
MLOGP
1.78
XLogP3
2.4
Consensus LogP
2.07
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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