C18H16N4O2.1/2H2O
TL;DR: C18H16N4O2.1/2H2O (CAS 139482-53-4) is a chemical compound with molecular formula C18H16N4O2 and molecular weight 320.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxypropyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one
Also Known As: C18H16N4O2.1/2H2O, 3-(2-Hydroxypropyl)-5-phenyl-3H-imidazo(4,5-c)(1,8)naphthyridin-4(5H)-one, C18-H16-N4-O2.1/2H2-O, 4H-Imidazo(4,5-c)(1,8)naphthyridin-4-one, 3,5-dihydro-3-((4-nitrophenyl)methyl)-5-phenyl-, hydrate (2:1), 3-(2-Hydroxypropyl)-5-phenyl-3,5-dihydro-4H-imidazo[4,5-c][1,8]naphthyridin-4-one
| Molecular Formula | C18H16N4O2 |
|---|---|
| Molecular Weight | 320.13 g/mol |
| LogP | 2.1162 |
| Topological Polar Surface Area | 72.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.12732 |
| Heavy Atoms | 24 |
| Complexity | 1080.7705 |
Chemical Identifiers
| CAS Number | 139482-53-4 |
|---|---|
| SMILES | CC(CN1C=NC2=C1C(=O)N(C3=C2C=CC=N3)C4=CC=CC=C4)O |
Product Overview
C18H16N4O2.1/2H2O (CAS 139482-53-4), with molecular formula C18H16N4O2 and molecular weight 320.13 g/mol. IUPAC: 3-(2-hydroxypropyl)-5-phenylimidazo[4,5-c][1,8]naphthyridin-4-one.
Chemical Property Profile of C18H16N4O2.1/2H2O
Property Insights of C18H16N4O2.1/2H2O
The XLogP value of 2.1162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H16N4O2.1/2H2O. The TPSA of 72.94 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H16N4O2.1/2H2O. Following Lipinski's Rule of Five, C18H16N4O2.1/2H2O 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 C18H16N4O2.1/2H2O?
The CAS number of C18H16N4O2.1/2H2O is 139482-53-4.
What is the molecular formula of C18H16N4O2.1/2H2O?
The molecular formula of C18H16N4O2.1/2H2O is C18H16N4O2.
What is the molecular weight of C18H16N4O2.1/2H2O?
The molecular weight of C18H16N4O2.1/2H2O is 320.13 g/mol.
Where can I buy C18H16N4O2.1/2H2O?
You can request a quote for C18H16N4O2.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H16N4O2.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C18H16N4O2.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.