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CAS 6055-72-7 Adenine hydrochloride hemihydrate molecular structure lightbox
CAS RN: 6055-72-7

Adenine hydrochloride hemihydrate

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251103 100g In stock Inquiry
Batchno.20260610 1g In stock Inquiry
Batchno.20250527 25g In stock Inquiry
Batchno.20251002 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250713 100g Out of stock 8-10 business days Inquiry
Batchno.20260306 25g In stock Shanghai, Shandong Inquiry
Batchno.20250616 5g In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-169156
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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: 100g
  • 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 6055-72-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shanghai Inquiry

6055-72-7 / 7H-purin-6-amine;hydrate;hydrochloride

Standard CAS: 6055-72-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6055-72-7
Multi CAS
Yes
Molecular Formula
C5H8CLN5O
Molecular Weight
189.600000
Exact Mass
189.041738
InChI
InChI=1S/C5H5N5.ClH.H2O/c6-4-3-5(9-1-7-3)10-2-8-4;;/h1-2H,(H3,6,7,8,9,10);1H;1H2
InChIKey
MYRDTAUFFBYTHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
4
H-bond donors
2
Molar refractivity
46.96
TPSA
111.98

LogP / Solubility

WLOGP
-0.47
MLOGP
-0.41
XLogP3
-0.47
Consensus LogP
-0.45
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-0.78
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
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)
-4.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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