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CAS 317-34-0 Aminophylline molecular structure lightbox
CAS RN: 317-34-0

Aminophylline

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250101 100g In stock Inquiry
Batchno.20250324 25g In stock Inquiry
Batchno.20260423 500g In stock Inquiry
  • Product code: SSC-137112
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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: 5g
  • 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 317-34-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

317-34-0 / bis(1,3-dimethyl-7H-purine-2,6-dione);ethane-1,2-diamine

Standard CAS: 317-34-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
317-34-0
Multi CAS
Yes
Molecular Formula
C16H24N10O4
Molecular Weight
420.430000
Exact Mass
420.198199
InChI
InChI=1S/2C7H8N4O2.C2H8N2/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h2*3H,1-2H3,(H,8,9);1-4H2
InChIKey
FQPFAHBPWDRTLU-UHFFFAOYSA-N

Physical Properties

Appearance
White or slightly yellowish granules or powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
12
H-bond donors
4
Molar refractivity
111.26
TPSA
197.4

LogP / Solubility

WLOGP
-3.18
MLOGP
-2.77
XLogP3
-3.18
Consensus LogP
-3.04
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.12
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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