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CAS 39241-02-6 N-(3-bromophenyl)-2-methylpropanamide molecular structure lightbox
CAS RN: 39241-02-6

N-(3-bromophenyl)-2-methylpropanamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250101 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS39241-02-6
  • Purity/Analytical Methods: >99.0%
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39241-02-6 / N-(3-bromophenyl)-2-methylpropanamide

Standard CAS: 39241-02-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39241-02-6
Multi CAS
Yes
Molecular Formula
BC10H12ORn
Molecular Weight
242.110000
Exact Mass
241.010230
InChI
InChI=1S/C10H12BrNO/c1-7(2)10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)
InChIKey
NKBABBOSWOTEAD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
57.61
TPSA
29.1

LogP / Solubility

WLOGP
3.04
MLOGP
2.68
XLogP3
3.4
Consensus LogP
3.04
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
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)
-2.04

Drug-likeness / Medicinal Chemistry

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

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