CAS RN: 1192150-15-4
6-Bromopteridin-4-ol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260628 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1192150-15-4
- Purity/Analytical Methods: >99.0%
1192150-15-4 / 6-bromo-3H-pteridin-4-one
Basic Information
CAS
1192150-15-4
Multi CAS
Yes
Molecular Formula
C6H3BrN4O
Molecular Weight
227.020000
Exact Mass
225.949020
SMILES
C1=C(N=C2C(=O)NC=NC2=N1)Br
InChI
InChI=1S/C6H3BrN4O/c7-3-1-8-5-4(11-3)6(12)10-2-9-5/h1-2H,(H,8,9,10,12)
InChIKey
VAASAUPOXFKTLB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.65
TPSA
71.53
LogP / Solubility
WLOGP
0.48
MLOGP
0.42
XLogP3
0.3
Consensus LogP
0.4
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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