CAS RN: 226878-01-9
NPS 2390
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250404 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250327 | 10mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20260430 | 1mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250223 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251201 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250504 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20251001 | 5mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250919 | 5mg / 10mg / 25mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS226878-01-9
- Purity/Analytical Methods: >99.0%
226878-01-9 / N-(1-adamantyl)quinoxaline-2-carboxamide
Basic Information
CAS
226878-01-9
Multi CAS
No
Molecular Formula
C19H21N3O
Molecular Weight
307.400000
Exact Mass
307.168462
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NC5=CC=CC=C5N=C4
InChI
InChI=1S/C19H21N3O/c23-18(17-11-20-15-3-1-2-4-16(15)21-17)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14H,5-10H2,(H,22,23)
InChIKey
ZKFVOZCCAXQXBU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
87.91
TPSA
54.88
LogP / Solubility
WLOGP
3.33
MLOGP
2.94
XLogP3
4.1
Consensus LogP
3.46
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
8
Customers Also Viewed
-
-
Carbamic acid, N-(5-bromo-2-thiazolyl)-, phenyl ester
- CAS RN: 226879-69-2
- Product Code: SSC-110675
-
-
-
-
QUERCETIN-3-O-GLUCURONIDE
- CAS RN: 22688-79-5
- Product Code: starshine_CAS22688-79-5
- Purity/Analytical method: >99.0%
