[email protected]
CAS 1450833-55-2 methyl ((1S,2R,3S,4R)-2,3-dihydroxy-4-((2-(3-((trifluoromethyl)thio)phenyl)pyrazolo[1,5-a]pyrimidin-7-yl)amino)cyclopentyl)sulfamate molecular structure lightbox
CAS RN: 1450833-55-2

methyl ((1S,2R,3S,4R)-2,3-dihydroxy-4-((2-(3-((trifluoromethyl)thio)phenyl)pyrazolo[1,5-a]pyrimidin-7-yl)amino)cyclopentyl)sulfamate

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250129 100mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260428 10mg In stock Shanghai Inquiry
Batchno.20250328 1mg In stock Shanghai Inquiry
Batchno.20260522 250mg In stock Shanghai Inquiry
Batchno.20260521 25mg In stock Shanghai Inquiry
Batchno.20260411 50mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260205 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251112 5mg / 10mg / 25mg Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-056450
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: 0.1g
  • 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 1450833-55-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 0 Out of Stock Shenzhen Inquiry

1450833-55-2 / [(1R,2R,3S,4R)-2,3-dihydroxy-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate

Standard CAS: 1450833-55-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1450833-55-2
Multi CAS
No
Molecular Formula
C19H20F3N5O5S2
Molecular Weight
519.500000
Exact Mass
519.085796
SMILES
C1[C@@H]([C@H]([C@H]([C@@H]1NC2=CC=NC3=CC(=NN23)C4=CC(=CC=C4)SC(F)(F)F)O)O)COS(=O)(=O)N
InChI
InChI=1S/C19H20F3N5O5S2/c20-19(21,22)33-12-3-1-2-10(6-12)13-8-16-24-5-4-15(27(16)26-13)25-14-7-11(17(28)18(14)29)9-32-34(23,30)31/h1-6,8,11,14,17-18,25,28-29H,7,9H2,(H2,23,30,31)/t11-,14-,17-,18+/m1/s1
InChIKey
KJDAGXLMHXUAGV-DGWLBADLSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
15
Fraction Csp3
0.37
Rotatable bonds
7
H-bond acceptors
10
H-bond donors
4
Molar refractivity
116.93
TPSA
152.07

LogP / Solubility

WLOGP
1.75
MLOGP
1.58
XLogP3
2
Consensus LogP
1.78
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us