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CAS 81012-94-4 2-Chloroadenosine hemidydrate molecular structure lightbox
CAS RN: 81012-94-4

2-Chloroadenosine hemidydrate

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250911 1g In stock Inquiry
Batchno.20250909 250mg In stock Inquiry
Batchno.20251028 5g Out of stock Inquiry
  • Product code: SSC-189613
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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: ≥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 81012-94-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

81012-94-4 / 2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrate

Standard CAS: 81012-94-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81012-94-4
Multi CAS
Yes
Molecular Formula
C10H14CLN5O5
Molecular Weight
319.700000
Exact Mass
319.068346
InChI
InChI=1S/C10H12ClN5O4.H2O/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9;/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15);1H2
InChIKey
CSVJEVDOHIWPDO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
9
H-bond donors
4
Molar refractivity
71.37
TPSA
171.04

LogP / Solubility

WLOGP
-2.15
MLOGP
-1.88
XLogP3
-2.15
Consensus LogP
-2.06
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.19
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)
-6.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

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