[email protected]
CAS 108530-10-5 2-Oxo-2H-chromen-7-yl Trifluoromethanesulfonate molecular structure lightbox
CAS RN: 108530-10-5

2-Oxo-2H-chromen-7-yl Trifluoromethanesulfonate

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260325 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250823 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250428 250mg In stock Shanghai Inquiry
Batchno.20251110 5g In stock Shenzhen Inquiry
  • Product code: SSC-009805
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: 5g
  • 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 108530-10-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

108530-10-5 / (2-oxochromen-7-yl) trifluoromethanesulfonate

2-oxo-2H-chromen-7-yl trifluoromethanesulfonate | RefChem:477727 | 833-760-4

Standard CAS: 108530-10-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
108530-10-5
Multi CAS
No
Molecular Formula
C10H5F3O5S
Molecular Weight
294.210000
Exact Mass
293.980979
SMILES
C1=CC(=CC2=C1C=CC(=O)O2)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C10H5F3O5S/c11-10(12,13)19(15,16)18-7-3-1-6-2-4-9(14)17-8(6)5-7/h1-5H
InChIKey
RHZZAJVDTLUWRD-UHFFFAOYSA-N
Synonyms
2-oxo-2H-chromen-7-yl trifluoromethanesulfonate RefChem:477727 833-760-4 7-Coumaryl Triflate MFCD18382236

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
58.09
TPSA
73.58

LogP / Solubility

WLOGP
2.02
MLOGP
1.79
XLogP3
2.7
Consensus LogP
2.17
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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)
-3.08

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Customers Also Viewed

Get In Touch

Contact Us