[email protected]
CAS 21120-68-3 4-(4-BROMOPHENOXY)BENZOIC ACID 97 molecular structure lightbox
CAS RN: 21120-68-3

4-(4-BROMOPHENOXY)BENZOIC ACID 97

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251115 100g In stock Shanghai Inquiry
Batchno.20250402 1g In stock Shanghai Inquiry
Batchno.20250427 250mg In stock Shanghai Inquiry
Batchno.20260210 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250102 25g In stock Shanghai Inquiry
Batchno.20250201 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-100786
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: ＞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 21120-68-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

21120-68-3 / 4-(4-bromophenoxy)benzoic acid

Standard CAS: 21120-68-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21120-68-3
Multi CAS
No
Molecular Formula
C13H9BrO3
Molecular Weight
293.110000
Exact Mass
291.973510
SMILES
C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)Br
InChI
InChI=1S/C13H9BrO3/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8H,(H,15,16)
InChIKey
GQZGWHFUVISZQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.62
TPSA
46.53

LogP / Solubility

WLOGP
3.94
MLOGP
3.48
XLogP3
4.6
Consensus LogP
4.01
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us