[email protected]
CAS 149652-50-6 2-(4-BROMOPHENYL)-N-METHOXY-N-METHYLACETAMIDE molecular structure lightbox
CAS RN: 149652-50-6

2-(4-BROMOPHENYL)-N-METHOXY-N-METHYLACETAMIDE

  • Product code: SSC-059616
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 149652-50-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Shenzhen Inquiry

149652-50-6 / 2-(4-bromophenyl)-N-methoxy-N-methylacetamide

Standard CAS: 149652-50-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
149652-50-6
Multi CAS
No
Molecular Formula
C10H12BrNO2
Molecular Weight
258.110000
Exact Mass
257.005140
SMILES
CN(C(=O)CC1=CC=C(C=C1)Br)OC
InChI
InChI=1S/C10H12BrNO2/c1-12(14-2)10(13)7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3
InChIKey
ILXYGVKKXCAIIJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
57.63
TPSA
29.54

LogP / Solubility

WLOGP
2.01
MLOGP
1.78
XLogP3
2.1
Consensus LogP
1.96
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87

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