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CAS 1015787-98-0 5-(2,4-DiaMino-pyriMidin-5-yloxy)-4-isopropyl-2-Methoxy-benzenesulfonaMide molecular structure lightbox
CAS RN: 1015787-98-0

5-(2,4-DiaMino-pyriMidin-5-yloxy)-4-isopropyl-2-Methoxy-benzenesulfonaMide

Product Availability

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13 package records13 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260426 100mg In stock Shanghai Inquiry
Batchno.20260203 10mg In stock Shanghai Inquiry
Batchno.20250415 1g In stock Shanghai Inquiry
Batchno.20260327 1mg In stock Shanghai Inquiry
Batchno.20250615 250mg In stock Shanghai Inquiry
Batchno.20260130 5g In stock Shanghai Inquiry
Batchno.20260106 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250307 100mg In stock Inquiry
Batchno.20250102 10mg In stock Inquiry
Batchno.20251218 25mg In stock Inquiry
Batchno.20250930 50mg In stock Inquiry
Batchno.20251108 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250810 1ml In stock Inquiry
  • Product code: SSC-002397
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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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 1015787-98-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

1015787-98-0 / 5-(2,4-diaminopyrimidin-5-yl)oxy-2-methoxy-4-propan-2-ylbenzenesulfonamide

Gefapixant | AF-219 | Benzenesulfonamide, 5-[(2,4-diamino-5-pyrimidinyl)oxy]-2-methoxy-4-(1-methylethyl)-

Standard CAS: 1015787-98-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1015787-98-0
Multi CAS
No
Molecular Formula
C14H19N5O4S
Molecular Weight
353.400000
Exact Mass
353.115775
SMILES
CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)N)S(=O)(=O)N)OC
InChI
InChI=1S/C14H19N5O4S/c1-7(2)8-4-10(22-3)12(24(17,20)21)5-9(8)23-11-6-18-14(16)19-13(11)15/h4-7H,1-3H3,(H2,17,20,21)(H4,15,16,18,19)
InChIKey
HLWURFKMDLAKOD-UHFFFAOYSA-N
Synonyms
Gefapixant AF-219 Benzenesulfonamide, 5-[(2,4-diamino-5-pyrimidinyl)oxy]-2-methoxy-4-(1-methylethyl)- Ro-4926219 RO4926219

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
3
Molar refractivity
89.39
TPSA
156.44

LogP / Solubility

WLOGP
1.21
MLOGP
1.09
XLogP3
0.7
Consensus LogP
1
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H373 (94.7%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P260, P319, and P501

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