RefChem:443606
TL;DR: RefChem:443606 (CAS 74853-07-9) is a chemical compound with molecular formula C19H21N5O2 and molecular weight 351.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazol-5-one
Also Known As: 2,4-dihydro-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-3H-1,2,4-triazol-3-one, EINECS 278-009-6, Itraconazole Methoxy Triazolone Impurity, 4-(4-(4-(4-METHOXYPHENYL)PIPERAZIN-1-YL)PHENYL)-1H-1,2,4-TRIAZOL-5(4H)-ONE, 2,4-Dihydro-4-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one
| Molecular Formula | C19H21N5O2 |
|---|---|
| Molecular Weight | 351.17 g/mol |
| LogP | 1.8958 |
| Topological Polar Surface Area | 66.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.16953 |
| Heavy Atoms | 26 |
| Complexity | 906.1075 |
Chemical Identifiers
| CAS Number | 74853-07-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)N4C=NNC4=O |
Product Overview
RefChem:443606 (CAS 74853-07-9), with molecular formula C19H21N5O2 and molecular weight 351.17 g/mol. IUPAC: 4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazol-5-one.
Chemical Property Profile of RefChem:443606
Property Insights of RefChem:443606
The XLogP value of 1.8958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:443606. The TPSA of 66.39 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:443606. Following Lipinski's Rule of Five, RefChem:443606 has 1 hydrogen bond donor(s) and 5 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 RefChem:443606?
The CAS number of RefChem:443606 is 74853-07-9.
What is the molecular formula of RefChem:443606?
The molecular formula of RefChem:443606 is C19H21N5O2.
What is the molecular weight of RefChem:443606?
The molecular weight of RefChem:443606 is 351.17 g/mol.
Where can I buy RefChem:443606?
You can request a quote for RefChem:443606 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:443606?
Yes, KEHONG BIO provides custom synthesis services for RefChem:443606 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.