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CAS 7661-10-1 3-BROMO-N-(4-BROMOPHENYL)PROPANAMIDE molecular structure lightbox
CAS RN: 7661-10-1

3-BROMO-N-(4-BROMOPHENYL)PROPANAMIDE

  • Product code: SSC-186051
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 7661-10-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

7661-10-1 / 3-bromo-N-(4-bromophenyl)propanamide

Standard CAS: 7661-10-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7661-10-1
Multi CAS
Yes
Molecular Formula
C9H9BR2NO
Molecular Weight
306.980000
Exact Mass
306.903040
InChI
InChI=1S/C9H9Br2NO/c10-6-5-9(13)12-8-3-1-7(11)2-4-8/h1-4H,5-6H2,(H,12,13)
InChIKey
ZFUGLAQIZREBFH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.18
TPSA
29.1

LogP / Solubility

WLOGP
3.17
MLOGP
2.8
XLogP3
3
Consensus LogP
2.99
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

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

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