[email protected]
CAS 1355631-24-1 5-chloro-4-[(3,4-dichlorophenoxy)Methyl]-2-fluoro-N-(Methylsulfonyl)benzaMide molecular structure lightbox
CAS RN: 1355631-24-1

5-chloro-4-[(3,4-dichlorophenoxy)Methyl]-2-fluoro-N-(Methylsulfonyl)benzaMide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250304 2mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1355631-24-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1355631-24-1 / 5-chloro-4-[(3,4-dichlorophenoxy)methyl]-2-fluoro-N-methylsulfonylbenzamide

Standard CAS: 1355631-24-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1355631-24-1
Multi CAS
No
Molecular Formula
C15H11Cl3FNO4S
Molecular Weight
426.700000
Exact Mass
424.945840
SMILES
CS(=O)(=O)NC(=O)C1=C(C=C(C(=C1)Cl)COC2=CC(=C(C=C2)Cl)Cl)F
InChI
InChI=1S/C15H11Cl3FNO4S/c1-25(22,23)20-15(21)10-6-12(17)8(4-14(10)19)7-24-9-2-3-11(16)13(18)5-9/h2-6H,7H2,1H3,(H,20,21)
InChIKey
VHPXWPAGHGHDCK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
94.51
TPSA
72.47

LogP / Solubility

WLOGP
4.05
MLOGP
3.59
XLogP3
4.2
Consensus LogP
3.95
Log S (ESOL)
-5.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.4
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)
-2.44

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us