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CAS 698357-36-7 2-(2-((2,6-Dichloro-4-Methoxyphenyl)aMino)phenyl)-N,N-diMethylacetaMide molecular structure lightbox
CAS RN: 698357-36-7

2-(2-((2,6-Dichloro-4-Methoxyphenyl)aMino)phenyl)-N,N-diMethylacetaMide

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250508 10mg / 50mg Confirm by inquiry Shandong Inquiry
  • Product code: starshine_CAS698357-36-7
  • Purity/Analytical Methods: >99.0%
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698357-36-7 / 2-[2-(2,6-dichloro-4-methoxyanilino)phenyl]-N,N-dimethylacetamide

Standard CAS: 698357-36-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
698357-36-7
Multi CAS
No
Molecular Formula
C17H18CL2N2O2
Molecular Weight
353.200000
Exact Mass
352.074533
InChI
InChI=1S/C17H18Cl2N2O2/c1-21(2)16(22)8-11-6-4-5-7-15(11)20-17-13(18)9-12(23-3)10-14(17)19/h4-7,9-10,20H,8H2,1-3H3
InChIKey
BSTKYJXULFVQRI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
95.14
TPSA
41.57

LogP / Solubility

WLOGP
4.38
MLOGP
3.87
XLogP3
4.4
Consensus LogP
4.22
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.19
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.77

Drug-likeness / Medicinal Chemistry

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

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