[email protected]
CAS 56978-45-1 2-Chloro-N-(2,4-dichloro-benzyl)-acetamide molecular structure lightbox
CAS RN: 56978-45-1

2-Chloro-N-(2,4-dichloro-benzyl)-acetamide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250817 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS56978-45-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

56978-45-1 / 2-chloro-N-[(2,4-dichlorophenyl)methyl]acetamide

Standard CAS: 56978-45-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56978-45-1
Multi CAS
No
Molecular Formula
C9H8CL3NO
Molecular Weight
252.500000
Exact Mass
250.967147
InChI
InChI=1S/C9H8Cl3NO/c10-4-9(14)13-5-6-1-2-7(11)3-8(6)12/h1-3H,4-5H2,(H,13,14)
InChIKey
PTNHNOLFSVBBBD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.03
TPSA
29.1

LogP / Solubility

WLOGP
2.85
MLOGP
2.51
XLogP3
3.2
Consensus LogP
2.85
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us