[email protected]
CAS 2199-87-3 6-Bromocoumarin-3-carboxylic Acid molecular structure lightbox
CAS RN: 2199-87-3

6-Bromocoumarin-3-carboxylic Acid

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250909 25g In stock Inquiry
Batchno.20251122 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260422 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260104 100g In stock Tianjin Inquiry
Batchno.20260625 1g In stock Shanghai Inquiry
Batchno.20251021 25g In stock Wuhan, Chengdu Inquiry
Batchno.20250723 5g In stock Chengdu Inquiry
  • Product code: SSC-105778
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: 100g
  • Available purity: ≥98%
  • 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 2199-87-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 0 Out of Stock Shenzhen Inquiry

2199-87-3 / 6-bromo-2-oxochromene-3-carboxylic acid

Standard CAS: 2199-87-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2199-87-3
Multi CAS
No
Molecular Formula
C10H5BrO4
Molecular Weight
269.050000
Exact Mass
267.937120
SMILES
C1=CC2=C(C=C1Br)C=C(C(=O)O2)C(=O)O
InChI
InChI=1S/C10H5BrO4/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H,(H,12,13)
InChIKey
XFQHPAXNKDYMOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.14
TPSA
67.51

LogP / Solubility

WLOGP
2.25
MLOGP
1.99
XLogP3
2.9
Consensus LogP
2.38
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us