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CAS 2236-60-4 2-Amino-4-hydroxy-1H-pteridine molecular structure lightbox
CAS RN: 2236-60-4

2-Amino-4-hydroxy-1H-pteridine

  • Product code: SSC-109034
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2236-60-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry

2236-60-4 / 2-amino-3H-pteridin-4-one

Standard CAS: 2236-60-4 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2236-60-4
Multi CAS
No
Molecular Formula
C6H5N5O
Molecular Weight
163.140000
Exact Mass
163.049410
SMILES
C1=CN=C2C(=N1)C(=O)NC(=N2)N
InChI
InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)
InChIKey
HNXQXTQTPAJEJL-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
5
H-bond donors
2
Molar refractivity
42.37
TPSA
97.55

LogP / Solubility

WLOGP
-0.7
MLOGP
-0.62
XLogP3
-1.4
Consensus LogP
-0.91
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-0.39
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.14
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)
-4.22

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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