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CAS 81012-88-6 IDP molecular structure lightbox
CAS RN: 81012-88-6

IDP

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250806 25mg / 100mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-189611
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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 81012-88-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

81012-88-6 / trisodium;[[3,4-dihydroxy-5-(6-oxo-5H-purin-9-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate;hydrate

Standard CAS: 81012-88-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81012-88-6
Multi CAS
Yes
Molecular Formula
C10H13N4NA3O12P2
Molecular Weight
512.150000
Exact Mass
511.969829
InChI
InChI=1S/C10H14N4O11P2.3Na.H2O/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;;;/h2-7,10,15-16H,1H2,(H,21,22)(H2,18,19,20);;;;1H2/q;3*+1;/p-3
InChIKey
YOKFFYSOQDLRDB-UHFFFAOYSA-K

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.6
Rotatable bonds
6
H-bond acceptors
14
H-bond donors
2
Molar refractivity
81.59
TPSA
260.36

LogP / Solubility

WLOGP
-14.37
MLOGP
-12.61
XLogP3
-14.37
Consensus LogP
-13.78
Log S (ESOL)
6.43
Class (ESOL)
Highly soluble
Log S (Ali)
6.62
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
8.22
Class (SILICOS-IT)
Highly 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)
-16.05

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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