5-HT2 antagonist 1
TL;DR: 5-HT2 antagonist 1 (CAS 191592-09-3) is a chemical compound with molecular formula C22H29FN4O2 and molecular weight 400.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-8-hydroxy-1-methyl-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one
Also Known As: 5-HT2 antagonist 1, Sun-C5174(undefined isomer), SUN-C5174, HY-U00365, J1.299.819H
| Molecular Formula | C22H29FN4O2 |
|---|---|
| Molecular Weight | 400.23 g/mol |
| LogP | 2.2558 |
| Topological Polar Surface Area | 51.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.22745 |
| Heavy Atoms | 29 |
| Complexity | 842.9972 |
Chemical Identifiers
| CAS Number | 191592-09-3 |
|---|---|
| SMILES | CN1C=CC2=C1C(CCN(C2=O)CCCN3CCN(CC3)C4=CC=C(C=C4)F)O |
Product Overview
5-HT2 antagonist 1 (CAS 191592-09-3), with molecular formula C22H29FN4O2 and molecular weight 400.23 g/mol. IUPAC: 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-8-hydroxy-1-methyl-7,8-dihydro-6H-pyrrolo[3,2-c]azepin-4-one.
Chemical Property Profile of 5-HT2 antagonist 1
Property Insights of 5-HT2 antagonist 1
The XLogP value of 2.2558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-HT2 antagonist 1. With a topological polar surface area (TPSA) of 51.95 Ų, 5-HT2 antagonist 1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-HT2 antagonist 1 has 1 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 5-HT2 antagonist 1?
The CAS number of 5-HT2 antagonist 1 is 191592-09-3.
What is the molecular formula of 5-HT2 antagonist 1?
The molecular formula of 5-HT2 antagonist 1 is C22H29FN4O2.
What is the molecular weight of 5-HT2 antagonist 1?
The molecular weight of 5-HT2 antagonist 1 is 400.23 g/mol.
Where can I buy 5-HT2 antagonist 1?
You can request a quote for 5-HT2 antagonist 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-HT2 antagonist 1?
Yes, KEHONG BIO provides custom synthesis services for 5-HT2 antagonist 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.