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CAS 96865-83-7 8-(4-carboxymethyloxy)phenyl-1,3-dipropylxanthine molecular structure lightbox
CAS RN: 96865-83-7

8-(4-carboxymethyloxy)phenyl-1,3-dipropylxanthine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260121 5mg / 25mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-212126
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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: 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 96865-83-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

96865-83-7 / 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetic acid

Standard CAS: 96865-83-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96865-83-7
Multi CAS
Yes
Molecular Formula
C19H22N4O5
Molecular Weight
386.400000
Exact Mass
386.159020
InChI
InChI=1S/C19H22N4O5/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(24)25/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)(H,24,25)
InChIKey
QTMMGCYGCFXBFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.37
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
2
Molar refractivity
103.76
TPSA
119.21

LogP / Solubility

WLOGP
1.84
MLOGP
1.64
XLogP3
3.9
Consensus LogP
2.46
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.77

Drug-likeness / Medicinal Chemistry

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

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