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CAS RN: 20357-42-0
N-[(4-chlorophenyl)methyl]-4-methoxyaniline
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.20250503 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS20357-42-0
- Purity/Analytical Methods: >99.0%
20357-42-0 / N-[(4-chlorophenyl)methyl]-4-methoxyaniline
Basic Information
CAS
20357-42-0
Multi CAS
No
Molecular Formula
C14H14ClNO
Molecular Weight
247.720000
Exact Mass
247.076392
SMILES
COC1=CC=C(C=C1)NCC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H14ClNO/c1-17-14-8-6-13(7-9-14)16-10-11-2-4-12(15)5-3-11/h2-9,16H,10H2,1H3
InChIKey
GQRCXKTWRYIKBP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.77
TPSA
21.26
LogP / Solubility
WLOGP
3.96
MLOGP
3.49
XLogP3
4
Consensus LogP
3.82
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
