![CAS 1380088-03-8 1-[3-[1-([1,1′-Biphenyl]-3-ylMethyl)-1H-1,2,3-triazol-5-yl]phenyl]-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyriMidin-4-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1380088-03-8.gif)
CAS RN: 1380088-03-8
1-[3-[1-([1,1′-Biphenyl]-3-ylMethyl)-1H-1,2,3-triazol-5-yl]phenyl]-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyriMidin-4-aMine
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.20250710 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1380088-03-8
- Purity/Analytical Methods: >99.0%
1380088-03-8 / 3-(4-chlorophenyl)-1-[3-[3-[(3-phenylphenyl)methyl]triazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
Basic Information
CAS
1380088-03-8
Multi CAS
No
Molecular Formula
C32H23ClN8
Molecular Weight
555.000000
Exact Mass
554.173421
SMILES
C1=CC=C(C=C1)C2=CC=CC(=C2)CN3C(=CN=N3)C4=CC(=CC=C4)N5C6=NC=NC(=C6C(=N5)C7=CC=C(C=C7)Cl)N
InChI
InChI=1S/C32H23ClN8/c33-26-14-12-23(13-15-26)30-29-31(34)35-20-36-32(29)41(38-30)27-11-5-10-25(17-27)28-18-37-39-40(28)19-21-6-4-9-24(16-21)22-7-2-1-3-8-22/h1-18,20H,19H2,(H2,34,35,36)
InChIKey
UHIZYQVRKSWIFO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
38
Fraction Csp3
0.03
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
1
Molar refractivity
161.51
TPSA
100.33
LogP / Solubility
WLOGP
6.69
MLOGP
5.93
XLogP3
6.4
Consensus LogP
6.34
Log S (ESOL)
-7.79
Class (ESOL)
Insoluble
Log S (Ali)
-8.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.54
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.35
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6
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