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CAS 157014-41-0 N-CBZ-4-(2-BROMO-ACETYL)-ANILINE molecular structure lightbox
CAS RN: 157014-41-0

N-CBZ-4-(2-BROMO-ACETYL)-ANILINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251224 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-066226
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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: 5g
  • 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 157014-41-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

157014-41-0 / benzyl N-[4-(2-bromoacetyl)phenyl]carbamate

Standard CAS: 157014-41-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
157014-41-0
Multi CAS
No
Molecular Formula
C16H14BrNO3
Molecular Weight
348.190000
Exact Mass
347.015710
SMILES
C1=CC=C(C=C1)COC(=O)NC2=CC=C(C=C2)C(=O)CBr
InChI
InChI=1S/C16H14BrNO3/c17-10-15(19)13-6-8-14(9-7-13)18-16(20)21-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,20)
InChIKey
SGOOUOYLZRYRQG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
84.82
TPSA
55.4

LogP / Solubility

WLOGP
4.01
MLOGP
3.55
XLogP3
3.5
Consensus LogP
3.69
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.85
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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