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CAS 206184-49-8 9-[(R)-2-(Phosphonomethoxy)propyl]adenine monohydrate molecular structure lightbox
CAS RN: 206184-49-8

9-[(R)-2-(Phosphonomethoxy)propyl]adenine monohydrate

Product Availability

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10 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250628 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251104 1ml Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250620 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251112 10mg In stock Shanghai Inquiry
Batchno.20260118 1g In stock Tianjin Inquiry
Batchno.20260321 1mg In stock Shanghai Inquiry
Batchno.20250830 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251016 50mg In stock Shanghai Inquiry
Batchno.20260205 5mg In stock Shanghai Inquiry
Batchno.20250604 5mg / 10mg / 50mg / 250mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-097197
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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 206184-49-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

206184-49-8 / [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid;hydrate

Standard CAS: 206184-49-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
206184-49-8
Multi CAS
No
Molecular Formula
C9H16N5O5P
Molecular Weight
305.230000
Exact Mass
305.088906
SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O.O
InChI
InChI=1S/C9H14N5O4P.H2O/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14;/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17);1H2/t6-;/m1./s1
InChIKey
PINIEAOMWQJGBW-FYZOBXCZSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
3
Molar refractivity
70.81
TPSA
167.88

LogP / Solubility

WLOGP
-0.88
MLOGP
-0.76
XLogP3
-0.88
Consensus LogP
-0.84
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
Class (SILICOS-IT)
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)
-5.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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