[email protected]
CAS 62797-97-1 N-n-Butyl-2-chlorobenzaMide molecular structure lightbox
CAS RN: 62797-97-1

N-n-Butyl-2-chlorobenzaMide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250504 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS62797-97-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

62797-97-1 / N-butyl-2-chlorobenzamide

Standard CAS: 62797-97-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
62797-97-1
Multi CAS
No
Molecular Formula
C11H14CLNO
Molecular Weight
211.690000
Exact Mass
211.076392
InChI
InChI=1S/C11H14ClNO/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12/h4-7H,2-3,8H2,1H3,(H,13,14)
InChIKey
PERRBGDAOVSLIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.69
TPSA
29.1

LogP / Solubility

WLOGP
2.87
MLOGP
2.53
XLogP3
2.1
Consensus LogP
2.5
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us