![CAS 13877-55-9 7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, 1,4-DIHYDRO- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/13877-55-9.gif)
CAS RN: 13877-55-9
7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, 1,4-DIHYDRO-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250601 | 250mg / 1g / 5g / 10g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-048701
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: 0.25g, 1g, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 4
- 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.
13877-55-9 / 1,6-dihydropyrazolo[4,5-d]pyrimidin-7-one
Basic Information
CAS
13877-55-9
Multi CAS
No
Molecular Formula
C5H4N4O
Molecular Weight
136.110000
Exact Mass
136.038511
SMILES
C1=NNC2=C1N=CNC2=O
InChI
InChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h1-2H,(H,8,9)(H,6,7,10)
InChIKey
JFZSDNLQDTYVEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
34.51
TPSA
74.43
LogP / Solubility
WLOGP
-0.35
MLOGP
-0.32
XLogP3
-0.7
Consensus LogP
-0.46
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-0.42
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.25
Class (SILICOS-IT)
Very 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)
-3.8
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
![CAS 13877-56-0 1H-Pyrazolo[4,3-d]pyrimidin-7-amine (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/13877-56-0.gif)
