1-(4-Fluorobenzyl)-7-isopropyl-3-(5-tetrazolyl)-1-azaazulen-2-one
TL;DR: 1-(4-Fluorobenzyl)-7-isopropyl-3-(5-tetrazolyl)-1-azaazulen-2-one (CAS 131114-33-5) is a chemical compound with molecular formula C20H18FN5O and molecular weight 363.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-fluorophenyl)methyl]-7-propan-2-yl-3-(2H-tetrazol-5-yl)cyclohepta[b]pyrrol-2-one
Also Known As: 1-(4-Fluorobenzyl)-7-isopropyl-3-(5-tetrazolyl)-1-azaazulen-2-one, Cyclohepta(b)pyrrol-2(1H)-one, 1-(4-(fluorophenyl)methyl)-7-(1-methylethyl)-3-(1H-tetrazol-5-yl)-, 1-[(4-fluorophenyl)methyl]-7-propan-2-yl-3-(2H-tetrazol-5-yl)cyclohepta[b]pyrrol-2-one, 1-[(4-Fluorophenyl)methyl]-7-(propan-2-yl)-3-(2H-tetrazol-5-yl)cyclohepta[b]pyrrol-2(1H)-one, RefChem:335048
| Molecular Formula | C20H18FN5O |
|---|---|
| Molecular Weight | 363.15 g/mol |
| LogP | 3.444 |
| Topological Polar Surface Area | 76.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.14954 |
| Heavy Atoms | 27 |
| Complexity | 1100.4167 |
Chemical Identifiers
| CAS Number | 131114-33-5 |
|---|---|
| SMILES | CC(C)C1=CC=CC2=C(C(=O)N(C2=C1)CC3=CC=C(C=C3)F)C4=NNN=N4 |
Product Overview
1-(4-Fluorobenzyl)-7-isopropyl-3-(5-tetrazolyl)-1-azaazulen-2-one (CAS 131114-33-5), with molecular formula C20H18FN5O and molecular weight 363.15 g/mol. IUPAC: 1-[(4-fluorophenyl)methyl]-7-propan-2-yl-3-(2H-tetrazol-5-yl)cyclohepta[b]pyrrol-2-one.
Chemical Property Profile of 1-(4-Fluorobenzyl)-7-isopropyl-3-(5-tetrazolyl)-1-azaazulen-2-one
Property Insights of 1-(4-Fluorobenzyl)-7-isopropyl-3-(5-tetrazolyl)-1-azaazulen-2-one
The XLogP value of 3.444 indicates that 1-(4-Fluorobenzyl)-7-isopropyl-3-(5-tetrazolyl)-1-azaazulen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Fluorobenzyl)-7-isopropyl-3-(5-tetrazolyl)-1-azaazulen-2-one. Following Lipinski's Rule of Five, 1-(4-Fluorobenzyl)-7-isopropyl-3-(5-tetrazolyl)-1-azaazulen-2-one 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 1-(4-Fluorobenzyl)-7-isopropyl-3-(5-tetrazolyl)-1-azaazulen-2-one?
The CAS number of 1-(4-Fluorobenzyl)-7-isopropyl-3-(5-tetrazolyl)-1-azaazulen-2-one is 131114-33-5.
What is the molecular formula of 1-(4-Fluorobenzyl)-7-isopropyl-3-(5-tetrazolyl)-1-azaazulen-2-one?
The molecular formula of 1-(4-Fluorobenzyl)-7-isopropyl-3-(5-tetrazolyl)-1-azaazulen-2-one is C20H18FN5O.
What is the molecular weight of 1-(4-Fluorobenzyl)-7-isopropyl-3-(5-tetrazolyl)-1-azaazulen-2-one?
The molecular weight of 1-(4-Fluorobenzyl)-7-isopropyl-3-(5-tetrazolyl)-1-azaazulen-2-one is 363.15 g/mol.
Where can I buy 1-(4-Fluorobenzyl)-7-isopropyl-3-(5-tetrazolyl)-1-azaazulen-2-one?
You can request a quote for 1-(4-Fluorobenzyl)-7-isopropyl-3-(5-tetrazolyl)-1-azaazulen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Fluorobenzyl)-7-isopropyl-3-(5-tetrazolyl)-1-azaazulen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorobenzyl)-7-isopropyl-3-(5-tetrazolyl)-1-azaazulen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.