CAS RN: 475086-75-0
SELEXIPAG interMediate
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.20250613 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-154471
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
475086-75-0 / 4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butan-1-ol
Basic Information
CAS
475086-75-0
Multi CAS
No
Molecular Formula
C23H27N3O
Molecular Weight
361.500000
Exact Mass
361.215412
InChI
InChI=1S/C23H27N3O/c1-18(2)26(15-9-10-16-27)21-17-24-22(19-11-5-3-6-12-19)23(25-21)20-13-7-4-8-14-20/h3-8,11-14,17-18,27H,9-10,15-16H2,1-2H3
InChIKey
PKBSUZWFQXNCSI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.3
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
111.71
TPSA
49.25
LogP / Solubility
WLOGP
4.8
MLOGP
4.24
XLogP3
4.4
Consensus LogP
4.48
Log S (ESOL)
-5.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.95
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.52
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
2.5
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2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)hexanoic acid (non-preferred name)
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- Purity/Analytical method: >99.0%
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![CAS 475100-30-2 2-(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)hexanoic acid (non-preferred name) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/475100-30-2.gif)
