[email protected]
CAS 20776-51-6 2-Amino-3-bromobenzoic Acid molecular structure lightbox
CAS RN: 20776-51-6

2-Amino-3-bromobenzoic Acid

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250205 100g In stock Inquiry
Batchno.20250327 10g In stock Inquiry
Batchno.20260123 1g In stock Inquiry
Batchno.20250214 25g In stock Inquiry
Batchno.20250510 500g Out of stock Inquiry
Batchno.20260604 5g In stock Inquiry
  • Product code: SSC-097757
GET A QUOTE
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: 1g, 10g, 5g, 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 20776-51-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Beijing Inquiry
10g ≥98% 5 In Stock Shenzhen Inquiry
5g ≥98% 2 In Stock Shanghai Inquiry
25g ≥98% 0 Out of Stock Shenzhen Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry
500g ≥98% 0 Out of Stock Shenzhen Inquiry

20776-51-6 / 2-amino-3-bromobenzoic acid

Standard CAS: 20776-51-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20776-51-6
Multi CAS
No
Molecular Formula
C7H6BrNO2
Molecular Weight
216.030000
Exact Mass
214.958190
SMILES
C1=CC(=C(C(=C1)Br)N)C(=O)O
InChI
InChI=1S/C7H6BrNO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey
SRIZNTFPBWRGPB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.51
TPSA
63.32

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
2
Consensus LogP
1.75
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2.81

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