Seganserin
TL;DR: Seganserin (CAS 87729-89-3) is a chemical compound with molecular formula C29H27F2N3O and molecular weight 471.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
Also Known As: Seganserin, Seganserina, Seganserine, Seganserinum, Seganserine [French]
| Molecular Formula | C29H27F2N3O |
|---|---|
| Molecular Weight | 471.21 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.21222 |
| Heavy Atoms | 35 |
| Complexity | 928.0 |
Chemical Identifiers
| CAS Number | 87729-89-3 |
|---|---|
| SMILES | CC1=C(C(=O)N2C=CC=CC2=N1)CCN3CCC(=C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)CC3 |
| InChIKey | ZGUPMFYFHHSNFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Seganserin (CAS 87729-89-3), with molecular formula C29H27F2N3O and molecular weight 471.21 g/mol. IUPAC: 3-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one.
Chemical Property Profile of Seganserin
Property Insights of Seganserin
The XLogP value of 5.1 indicates that Seganserin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.9 Ų, Seganserin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Seganserin has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Seganserin?
The CAS number of Seganserin is 87729-89-3.
What is the molecular formula of Seganserin?
The molecular formula of Seganserin is C29H27F2N3O.
What is the molecular weight of Seganserin?
The molecular weight of Seganserin is 471.21 g/mol.
Where can I buy Seganserin?
You can request a quote for Seganserin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Seganserin?
Yes, KEHONG BIO provides custom synthesis services for Seganserin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.