[email protected]
CAS 645-09-0 3-Nitrobenzamide molecular structure lightbox
CAS RN: 645-09-0

3-Nitrobenzamide

Product Availability

Choose a grade to view its available package options.

2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250817 25g Out of stock 8-10 business days Inquiry
Batchno.20251118 5g In stock Shanghai Inquiry
  • Product code: SSC-174234
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: 25g
  • Available purity: ＞97%
  • 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 645-09-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

645-09-0 / 3-nitrobenzamide

Standard CAS: 645-09-0 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
645-09-0
Multi CAS
No
Molecular Formula
C7H6N2O3
Molecular Weight
166.130000
Exact Mass
166.037842
InChI
InChI=1S/C7H6N2O3/c8-7(10)5-2-1-3-6(4-5)9(11)12/h1-4H,(H2,8,10)
InChIKey
KWAYEPXDGHYGRW-UHFFFAOYSA-N

Physical Properties

Melting Point
288.9 °F (NTP, 1992)
Boiling Point
590 to 599 °F at 760 mmHg (NTP, 1992)
Physical Description
M-nitrobenzamide is a yellow powder. (NTP, 1992)
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.61
TPSA
86.23

LogP / Solubility

WLOGP
0.69
MLOGP
0.61
XLogP3
0.8
Consensus LogP
0.7
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us