C20H16ClN5O
TL;DR: C20H16ClN5O (CAS 727394-85-6) is a chemical compound with molecular formula C20H16ClN5O and molecular weight 377.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-chlorophenyl)-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: BAS 11132359, 6-(3-chlorophenyl)-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 6-(3-chlorophenyl)-9-(3-pyridyl)-4,5,6,7,9,10-hexahydro-1,2,4-triazolo[5,1-b]q uinazolin-8-one, 6-(3-chlorophenyl)-9-(pyridin-3-yl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 6-(3-chlorophenyl)-9-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8-ol
| Molecular Formula | C20H16ClN5O |
|---|---|
| Molecular Weight | 377.10 g/mol |
| LogP | 3.7422 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 377.10434 |
| Heavy Atoms | 27 |
| Complexity | 1058.9988 |
Chemical Identifiers
| CAS Number | 727394-85-6 |
|---|---|
| SMILES | C1C(CC(=O)C2=C1NC3=NC=NN3C2C4=CN=CC=C4)C5=CC(=CC=C5)Cl |
Product Overview
C20H16ClN5O (CAS 727394-85-6), with molecular formula C20H16ClN5O and molecular weight 377.10 g/mol. IUPAC: 6-(3-chlorophenyl)-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of C20H16ClN5O
Property Insights of C20H16ClN5O
The XLogP value of 3.7422 indicates that C20H16ClN5O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H16ClN5O. Following Lipinski's Rule of Five, C20H16ClN5O 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 C20H16ClN5O?
The CAS number of C20H16ClN5O is 727394-85-6.
What is the molecular formula of C20H16ClN5O?
The molecular formula of C20H16ClN5O is C20H16ClN5O.
What is the molecular weight of C20H16ClN5O?
The molecular weight of C20H16ClN5O is 377.10 g/mol.
Where can I buy C20H16ClN5O?
You can request a quote for C20H16ClN5O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H16ClN5O?
Yes, KEHONG BIO provides custom synthesis services for C20H16ClN5O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.