CAS RN: 303215-67-0

2-[[(4-Anilinophenyl)imino]methyl]-4,6-dichlorophenol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260203 100mg / 250mg / 500mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS303215-67-0
  • Purity/Analytical Methods: >99.0%
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303215-67-0 / 2-[(4-anilinophenyl)iminomethyl]-4,6-dichlorophenol

Standard CAS: 303215-67-0 Multi CAS: No

Basic Information

CAS
303215-67-0
Multi CAS
No
Molecular Formula
C19H14CL2N2O
Molecular Weight
357.200000
Exact Mass
356.048319
InChI
InChI=1S/C19H14Cl2N2O/c20-14-10-13(19(24)18(21)11-14)12-22-15-6-8-17(9-7-15)23-16-4-2-1-3-5-16/h1-12,23-24H
InChIKey
DBYOPSAQYAKIQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
101.55
TPSA
44.62

LogP / Solubility

WLOGP
6.19
MLOGP
5.47
XLogP3
5.7
Consensus LogP
5.79
Log S (ESOL)
-6.25
Class (ESOL)
Insoluble
Log S (Ali)
-6.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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