[email protected]
CAS 89791-75-3 2-BROMO-N-FURAN-2-YLMETHYL-ACETAMIDE molecular structure lightbox
CAS RN: 89791-75-3

2-BROMO-N-FURAN-2-YLMETHYL-ACETAMIDE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250622 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS89791-75-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

89791-75-3 / 2-bromo-N-(furan-2-ylmethyl)acetamide

Standard CAS: 89791-75-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89791-75-3
Multi CAS
No
Molecular Formula
BC7H8O2Rn
Molecular Weight
218.050000
Exact Mass
216.973840
InChI
InChI=1S/C7H8BrNO2/c8-4-7(10)9-5-6-2-1-3-11-6/h1-3H,4-5H2,(H,9,10)
InChIKey
FIMXODYBCGBCRR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.35
TPSA
42.24

LogP / Solubility

WLOGP
1.29
MLOGP
1.14
XLogP3
0.9
Consensus LogP
1.11
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately 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)
-3.13

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