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CAS 177750-12-8 N-(1-(4′-broMophenyl)vinyl)acetaMide molecular structure lightbox
CAS RN: 177750-12-8

N-(1-(4′-broMophenyl)vinyl)acetaMide

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Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250108 200mg Out of stock 5-7 business days Inquiry
  • Product code: LINN926350
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177750-12-8 / N-[1-(4-bromophenyl)ethenyl]acetamide

Standard CAS: 177750-12-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
177750-12-8
Multi CAS
No
Molecular Formula
C10H10BrNO
Molecular Weight
240.100000
Exact Mass
238.994580
SMILES
CC(=O)NC(=C)C1=CC=C(C=C1)Br
InChI
InChI=1S/C10H10BrNO/c1-7(12-8(2)13)9-3-5-10(11)6-4-9/h3-6H,1H2,2H3,(H,12,13)
InChIKey
OQFXOFQCLBQHKK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.99
TPSA
29.1

LogP / Solubility

WLOGP
2.56
MLOGP
2.25
XLogP3
2.4
Consensus LogP
2.4
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
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)
-2.37

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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