CAS RN: 108-53-2
Isocytosine
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250203 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250811 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20260407 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251214 | 25g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250703 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20251223 | 5g | In stock | Shanghai, Wuhan | Inquiry |
- Product code: SSC-009291
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 10g, 5g, 25g, 100g, 500g
- Available purity: ≥98%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥98% | 5 In Stock | Shenzhen | Inquiry |
| 10g | ≥98% | 3 In Stock | Beijing | Inquiry |
| 5g | ≥98% | 2 In Stock | Hong Kong | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
| 500g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
108-53-2 / 2-amino-1H-pyrimidin-6-one
Isocytosine | 2-aminopyrimidin-4-ol | 2-Amino-4-hydroxypyrimidine
Basic Information
CAS
108-53-2
Multi CAS
Yes
Molecular Formula
C4H5N3O
Molecular Weight
111.100000
Exact Mass
111.043262
SMILES
C1=CN=C(NC1=O)N
InChI
InChI=1S/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8)
InChIKey
XQCZBXHVTFVIFE-UHFFFAOYSA-N
Synonyms
Isocytosine
2-aminopyrimidin-4-ol
2-Amino-4-hydroxypyrimidine
2-Amino-4-pyrimdinol
2-Amino-4-pyrimidone
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
29.27
TPSA
71.77
LogP / Solubility
WLOGP
-0.65
MLOGP
-0.58
XLogP3
-1
Consensus LogP
-0.74
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.16
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
