[email protected]
CAS 159730-72-0 2-Bromo-4-methyl-5-nitrobenzaldehyde molecular structure lightbox
CAS RN: 159730-72-0

2-Bromo-4-methyl-5-nitrobenzaldehyde

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260130 1g In stock Inquiry
Batchno.20250324 250mg In stock Inquiry
Batchno.20251103 50mg In stock Inquiry
Batchno.20250923 5g In stock Inquiry
  • Product code: SSC-067699
GET A QUOTE
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
Request Bulk Quote

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 159730-72-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

159730-72-0 / 2-bromo-4-methyl-5-nitrobenzaldehyde

Standard CAS: 159730-72-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
159730-72-0
Multi CAS
No
Molecular Formula
C8H6BrNO3
Molecular Weight
244.040000
Exact Mass
242.953110
SMILES
CC1=CC(=C(C=C1[N+](=O)[O-])C=O)Br
InChI
InChI=1S/C8H6BrNO3/c1-5-2-7(9)6(4-11)3-8(5)10(12)13/h2-4H,1H3
InChIKey
OKHCEMLRYRLMEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
50.92
TPSA
60.21

LogP / Solubility

WLOGP
2.48
MLOGP
2.19
XLogP3
2.3
Consensus LogP
2.32
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us