CAS RN: 1228585-88-3
GS9620
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250408 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-026475
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: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- 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.
1228585-88-3 / 4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one
Basic Information
CAS
1228585-88-3
Multi CAS
No
Molecular Formula
C22H30N6O2
Molecular Weight
410.500000
Exact Mass
410.243024
SMILES
CCCCOC1=NC(=C2C(=N1)N(CC(=O)N2)CC3=CC=CC(=C3)CN4CCCC4)N
InChI
InChI=1S/C22H30N6O2/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,29)(H2,23,25,26)
InChIKey
VFOKSTCIRGDTBR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
2
Molar refractivity
117.48
TPSA
96.61
LogP / Solubility
WLOGP
2.79
MLOGP
2.48
XLogP3
2.7
Consensus LogP
2.66
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.61
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)
-3.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
3,7-Dibromo-5,5-dimethyl-5H-dibenzo[b,d]silole
- CAS RN: 1228595-79-6
- Product Code: starshine_CAS1228595-79-6
- Purity/Analytical method: >99.0%
-
-
Tert-Butyl 2-Acetylmorpholine-4-Carboxylate
- CAS RN: 1228600-46-1
- Product Code: SSC-026480
-
S-3,3′-bis[4-(trifluoroMethyl)phenyl]-5,5′,6,6′,7,7′,8,8′-octahydro-[1,1′-Binaphthalene]-2,2′-diol
- CAS RN: 1228600-98-3
- Product Code: starshine_CAS1228600-98-3
- Purity/Analytical method: >99.0%
-
S-3,3′-bis(3,5-bis(trifluoroMethyl)phenyl)-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-bi-2,2′-naphthol
- CAS RN: 1228600-99-4
- Product Code: SSC-026481
![CAS 1228595-79-6 3,7-Dibromo-5,5-dimethyl-5H-dibenzo[b,d]silole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228595-79-6.gif)
![CAS 1228600-98-3 S-3,3′-bis[4-(trifluoroMethyl)phenyl]-5,5′,6,6′,7,7′,8,8′-octahydro-[1,1′-Binaphthalene]-2,2′-diol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228600-98-3.gif)
