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CAS 1363165-97-2 3-BroMo-N-(2-cyanophenyl)-2-MethylbenzaMide molecular structure lightbox
CAS RN: 1363165-97-2

3-BroMo-N-(2-cyanophenyl)-2-MethylbenzaMide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250429 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-045220
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 0.1g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1363165-97-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Shanghai Inquiry

1363165-97-2 / 3-bromo-N-(2-cyanophenyl)-2-methylbenzamide

Standard CAS: 1363165-97-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363165-97-2
Multi CAS
No
Molecular Formula
C15H11BrN2O
Molecular Weight
315.160000
Exact Mass
314.005480
SMILES
CC1=C(C=CC=C1Br)C(=O)NC2=CC=CC=C2C#N
InChI
InChI=1S/C15H11BrN2O/c1-10-12(6-4-7-13(10)16)15(19)18-14-8-3-2-5-11(14)9-17/h2-8H,1H3,(H,18,19)
InChIKey
ODUDWIVBBMPTAK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
77.99
TPSA
52.89

LogP / Solubility

WLOGP
3.88
MLOGP
3.43
XLogP3
4.1
Consensus LogP
3.8
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.17
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)
-1.89

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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