[email protected]
CAS 82082-50-6 N-BENZYL 2-BROMOBENZAMIDE molecular structure lightbox
CAS RN: 82082-50-6

N-BENZYL 2-BROMOBENZAMIDE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251214 200mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: starshine_CAS82082-50-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

82082-50-6 / N-benzyl-2-bromobenzamide

Standard CAS: 82082-50-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
82082-50-6
Multi CAS
No
Molecular Formula
BC14H12ORn
Molecular Weight
290.150000
Exact Mass
289.010230
InChI
InChI=1S/C14H12BrNO/c15-13-9-5-4-8-12(13)14(17)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
InChIKey
PUIYIJWJYXUFGR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
71.75
TPSA
29.1

LogP / Solubility

WLOGP
3.38
MLOGP
2.98
XLogP3
2.5
Consensus LogP
2.95
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us