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CAS 153435-68-8 5-Bromo-N-methyl-nicotinamide molecular structure lightbox
CAS RN: 153435-68-8

5-Bromo-N-methyl-nicotinamide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251204 1g / 5g / 10g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-062877
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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: ＞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 153435-68-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

153435-68-8 / 5-bromo-N-methylpyridine-3-carboxamide

Standard CAS: 153435-68-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153435-68-8
Multi CAS
No
Molecular Formula
C7H7BrN2O
Molecular Weight
215.050000
Exact Mass
213.974180
SMILES
CNC(=O)C1=CC(=CN=C1)Br
InChI
InChI=1S/C7H7BrN2O/c1-9-7(11)5-2-6(8)4-10-3-5/h2-4H,1H3,(H,9,11)
InChIKey
QHORMANADMCWSL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.33
TPSA
41.99

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
0.8
Consensus LogP
1.02
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
Class (SILICOS-IT)
Moderately 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)
-3.18

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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