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CAS 69975-86-6 Doxofylline molecular structure lightbox
CAS RN: 69975-86-6

Doxofylline

Product Availability

Choose a grade to view its available package options.

10 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250403 100g In stock Inquiry
Batchno.20250801 1g In stock Inquiry
Batchno.20250425 25g In stock Inquiry
Batchno.20250424 500g In stock Inquiry
Batchno.20250613 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260106 100g Out of stock Inquiry
Batchno.20250608 10g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250112 1g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250711 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250219 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-179740
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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: 100g
  • 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 69975-86-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Hong Kong Inquiry

69975-86-6 / 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione

Standard CAS: 69975-86-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69975-86-6
Multi CAS
Yes
Molecular Formula
C11H14N4O4
Molecular Weight
266.250000
Exact Mass
266.101505
InChI
InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3
InChIKey
HWXIGFIVGWUZAO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.55
Rotatable bonds
2
H-bond acceptors
8
Molar refractivity
65.91
TPSA
80.28

LogP / Solubility

WLOGP
-1.19
MLOGP
-1.04
XLogP3
-0.9
Consensus LogP
-1.04
Log S (ESOL)
-0.96
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.64
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)
-5.19

Drug-likeness / Medicinal Chemistry

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

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