![CAS 1956318-09-4 1,3-dimethyl-6-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1956318-09-4.png)
CAS RN: 1956318-09-4
1,3-dimethyl-6-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260305 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINH926536
1956318-09-4 / 1,3-dimethyl-6-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
Basic Information
CAS
1956318-09-4
Multi CAS
No
Molecular Formula
C13H12N4O
Molecular Weight
240.260000
Exact Mass
240.101111
SMILES
CC1=NN(C2=C1C(=O)NC(=N2)C3=CC=CC=C3)C
InChI
InChI=1S/C13H12N4O/c1-8-10-12(17(2)16-8)14-11(15-13(10)18)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,14,15,18)
InChIKey
DLICNUMCJSUDDG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.15
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
69.3
TPSA
63.57
LogP / Solubility
WLOGP
1.63
MLOGP
1.44
XLogP3
1.4
Consensus LogP
1.49
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
1,3-Bis(benzyloxycarbonyl)-2-Methyl-2-thiopseudourea
- CAS RN: 25508-20-7
- Product Code: SSC-121532
-
-
-
