C17H20N2O7.1/2H2O
TL;DR: C17H20N2O7.1/2H2O (CAS 136281-52-2) is a chemical compound with molecular formula C17H20N2O7 and molecular weight 364.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Also Known As: C17H20N2O7.1/2H2O, C17-H20-N2-O7.1/2H2-O, 1,3-Dioxolo(4,5-g)quinoline-7-carboxamide, 5,8-dihydro-5-ethyl-N-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-8-oxo-, hemihydrate, 1,4-Dihydro-1-ethyl-4-oxo-6,7-(methylenedioxy)-N-[1,1-bis(hydroxymethyl)-2-hydroxyethyl]quinoline-3-carboxamide, N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
| Molecular Formula | C17H20N2O7 |
|---|---|
| Molecular Weight | 364.13 g/mol |
| LogP | -0.8044 |
| Topological Polar Surface Area | 130.25 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.12704 |
| Heavy Atoms | 26 |
| Complexity | 893.8354 |
Chemical Identifiers
| CAS Number | 136281-52-2 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(CO)(CO)CO |
Product Overview
C17H20N2O7.1/2H2O (CAS 136281-52-2), with molecular formula C17H20N2O7 and molecular weight 364.13 g/mol. IUPAC: N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide.
Chemical Property Profile of C17H20N2O7.1/2H2O
Property Insights of C17H20N2O7.1/2H2O
The XLogP value of -0.8044 indicates that C17H20N2O7.1/2H2O is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.25 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H20N2O7.1/2H2O. Following Lipinski's Rule of Five, C17H20N2O7.1/2H2O has 4 hydrogen bond donor(s) and 7 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 C17H20N2O7.1/2H2O?
The CAS number of C17H20N2O7.1/2H2O is 136281-52-2.
What is the molecular formula of C17H20N2O7.1/2H2O?
The molecular formula of C17H20N2O7.1/2H2O is C17H20N2O7.
What is the molecular weight of C17H20N2O7.1/2H2O?
The molecular weight of C17H20N2O7.1/2H2O is 364.13 g/mol.
Where can I buy C17H20N2O7.1/2H2O?
You can request a quote for C17H20N2O7.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H20N2O7.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C17H20N2O7.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.