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CAS 157701-33-2 N-(5-BROMO-2,3-DIHYDRO-1H-INDEN-6-YL)ACETAMIDE molecular structure lightbox
CAS RN: 157701-33-2

N-(5-BROMO-2,3-DIHYDRO-1H-INDEN-6-YL)ACETAMIDE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260414 1g In stock Shanghai Inquiry
Batchno.20251228 250mg In stock Shanghai Inquiry
Batchno.20260209 5g In stock Shanghai Inquiry
  • Product code: SSC-066523
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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: ＞97%
  • 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 157701-33-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

157701-33-2 / N-(6-bromo-2,3-dihydro-1H-inden-5-yl)acetamide

Standard CAS: 157701-33-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
157701-33-2
Multi CAS
No
Molecular Formula
C11H12BrNO
Molecular Weight
254.120000
Exact Mass
253.010230
SMILES
CC(=O)NC1=C(C=C2CCCC2=C1)Br
InChI
InChI=1S/C11H12BrNO/c1-7(14)13-11-6-9-4-2-3-8(9)5-10(11)12/h5-6H,2-4H2,1H3,(H,13,14)
InChIKey
BSZWXNUSLPNWEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.47
TPSA
29.1

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
2.6
Consensus LogP
2.69
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-2.21

Drug-likeness / Medicinal Chemistry

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

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