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CAS 519-37-9 Etofylline molecular structure lightbox
CAS RN: 519-37-9

Etofylline

Product Availability

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250821 100g In stock Inquiry
Batchno.20250704 25g In stock Inquiry
Batchno.20250418 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250528 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Hebei, Shandong Inquiry
  • Product code: SSC-158926
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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: 25g
  • Available purity: ≥97%
  • 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 519-37-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

519-37-9 / 7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione

Standard CAS: 519-37-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
519-37-9
Multi CAS
Yes
Molecular Formula
C9H12N4O3
Molecular Weight
224.220000
Exact Mass
224.090940
InChI
InChI=1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3
InChIKey
NWPRCRWQMGIBOT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
1
Molar refractivity
57.3
TPSA
82.05

LogP / Solubility

WLOGP
-1.57
MLOGP
-1.38
XLogP3
-1.2
Consensus LogP
-1.38
Log S (ESOL)
-0.52
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.05
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.21

Drug-likeness / Medicinal Chemistry

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

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