X 9121
TL;DR: X 9121 (CAS 14476-38-1) is a chemical compound with molecular formula C23H18N4 and molecular weight 350.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
X 9121
8,8-bis(pyridin-4-ylmethyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
Also Known As: Sibopirdine, Sibopirdine [INN], Sibopirdine anhydrous, Exp 9121, SIBOPIRDINE [WHO-DD]
| Molecular Formula | C23H18N4 |
|---|---|
| Molecular Weight | 350.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.15314 |
| Heavy Atoms | 27 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 14476-38-1 |
|---|---|
| SMILES | C1=CC2=C(C3=C(C2(CC4=CC=NC=C4)CC5=CC=NC=C5)C=CC=N3)N=C1 |
| InChIKey | FJYRSJDIZKTXKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
X 9121 (CAS 14476-38-1), with molecular formula C23H18N4 and molecular weight 350.15 g/mol. IUPAC: 8,8-bis(pyridin-4-ylmethyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
Chemical Property Profile of X 9121
Property Insights of X 9121
The XLogP value of 3.1 indicates that X 9121 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, X 9121 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, X 9121 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of X 9121?
The CAS number of X 9121 is 14476-38-1.
What is the molecular formula of X 9121?
The molecular formula of X 9121 is C23H18N4.
What is the molecular weight of X 9121?
The molecular weight of X 9121 is 350.15 g/mol.
Where can I buy X 9121?
You can request a quote for X 9121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for X 9121?
Yes, KEHONG BIO provides custom synthesis services for X 9121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.