CAS RN: 22521-37-5
N1-(5-CHLORO-2-METHOXY-4-NITROPHENYL)ACETAMIDE
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250914 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINN927083
22521-37-5 / N-(5-chloro-2-methoxy-4-nitrophenyl)acetamide
Basic Information
CAS
22521-37-5
Multi CAS
No
Molecular Formula
C9H9ClN2O4
Molecular Weight
244.630000
Exact Mass
244.025085
SMILES
CC(=O)NC1=CC(=C(C=C1OC)[N+](=O)[O-])Cl
InChI
InChI=1S/C9H9ClN2O4/c1-5(13)11-7-3-6(10)8(12(14)15)4-9(7)16-2/h3-4H,1-2H3,(H,11,13)
InChIKey
KQGNEXQCCNUZMT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.96
TPSA
81.47
LogP / Solubility
WLOGP
2.22
MLOGP
1.95
XLogP3
1.5
Consensus LogP
1.89
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64
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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