CAS RN: 2088525-31-7
Selective PI3Kδ Inhibitor 1
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260316 | 1mg / 5mg / 25mg / 100mg / 250mg | Confirm by inquiry | Shandong | 8-10 business days | Inquiry |
- Product code: starshine_CAS2088525-31-7
- Purity/Analytical Methods: >99.0%
2088525-31-7 / 4-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]-2-fluorobenzamide
Basic Information
CAS
2088525-31-7
Multi CAS
No
Molecular Formula
C23H20FN7O
Molecular Weight
429.400000
Exact Mass
429.171336
SMILES
CN1C(=NC(=N1)C2=CN=C(C(=N2)C3=CC(=C(C=C3)C(=O)N)F)N)C4(CC4)C5=CC=CC=C5
InChI
InChI=1S/C23H20FN7O/c1-31-22(23(9-10-23)14-5-3-2-4-6-14)29-21(30-31)17-12-27-19(25)18(28-17)13-7-8-15(20(26)32)16(24)11-13/h2-8,11-12H,9-10H2,1H3,(H2,25,27)(H2,26,32)
InChIKey
YPTMZNNBDPEMOK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
23
Fraction Csp3
0.17
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
116.81
TPSA
125.6
LogP / Solubility
WLOGP
2.84
MLOGP
2.53
XLogP3
2.1
Consensus LogP
2.49
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 2088537-45-3 4-(3-bromophenyl)-6-phenyldibenzo[b,d]furan molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-(3-bromophenyl)-6-phenyldibenzo[b,d]furan
- CAS RN: 2088537-45-3
- Product Code: SSC-098149
-
3-(Hydroxymethyl)-5-(trifluoromethyl)phenylboronic acid
- CAS RN: 2088638-48-4
- Product Code: SSC-098155
-
(R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione
- CAS RN: 2088771-61-1
- Product Code: starshine_CAS2088771-61-1
- Purity/Analytical method: >99.0%
-
3-(Fluorosulfonyl)-5-((trimethylsilyl)ethynyl)benzoic acid >=95%
- CAS RN: 2088829-06-3
- Product Code: starshine_CAS2088829-06-3
- Purity/Analytical method: >99.0%
-
3-(Bromomethyl)-5-((trimethylsilyl)ethynyl)benzenesulfonyl fluoride >=95%
- CAS RN: 2088829-12-1
- Product Code: SSC-098167
-
2-(4-BROMO-1H-PYRAZOL-1-YL)-2-METHYLPROPANENITRILE
- CAS RN: 2088840-42-8
- Product Code: SSC-098169
![CAS 2088537-45-3 4-(3-bromophenyl)-6-phenyldibenzo[b,d]furan molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2088537-45-3.png)
![CAS 2088771-61-1 (R)-10-(2,4,5-trifluorobenzyl)-3-(trifluoromethyl)-6,7,10,11-tetrahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2088771-61-1.png)
