[email protected]
CAS 913835-73-1 3-BROMO-5-CARBOXYBENZENEBORONIC ACID 97 molecular structure lightbox
CAS RN: 913835-73-1

3-BROMO-5-CARBOXYBENZENEBORONIC ACID 97

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260309 1g In stock Shandong Inquiry
Batchno.20250610 5g In stock Shanghai Inquiry
  • Product code: SSC-204388
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 913835-73-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

913835-73-1 / 3-borono-5-bromobenzoic acid

Standard CAS: 913835-73-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
913835-73-1
Multi CAS
No
Molecular Formula
C7H6BBRO4
Molecular Weight
244.840000
Exact Mass
243.954250
InChI
InChI=1S/C7H6BBrO4/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,12-13H,(H,10,11)
InChIKey
CWBLIPMCDMSOFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
50.93
TPSA
77.76

LogP / Solubility

WLOGP
-0.17
MLOGP
-0.15
XLogP3
-0.17
Consensus LogP
-0.16
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
Class (SILICOS-IT)
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)
-4.34

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