WU73F8Vfa7
TL;DR: WU73F8Vfa7 (CAS 352464-60-9) is a chemical compound with molecular formula C31H33FN4O9 and molecular weight 624.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate
Also Known As: NCX976, 2-Methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxo-1-propen-1-yl)phenyl 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylate, 2-Methoxy-4-(3-[4'-(nitrooxy)butoxy]-3-oxo-1-propenyl]phenyl ester, 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, 2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxo-1-propen-1-yl)phenyl ester, 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, 2-methoxy-4-(3-(4-(nitrooxy)butoxy)-3-oxo-1-propenyl)phenyl ester
| Molecular Formula | C31H33FN4O9 |
|---|---|
| Molecular Weight | 624.22 g/mol |
| LogP | 3.6578 |
| Topological Polar Surface Area | 151.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 624.22314 |
| Heavy Atoms | 45 |
| Complexity | 1679.7533 |
Chemical Identifiers
| CAS Number | 352464-60-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)OCCCCO[N+](=O)[O-])OC(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CCNCC4)C5CC5 |
Product Overview
WU73F8Vfa7 (CAS 352464-60-9), with molecular formula C31H33FN4O9 and molecular weight 624.22 g/mol. IUPAC: [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate.
Chemical Property Profile of WU73F8Vfa7
Property Insights of WU73F8Vfa7
The XLogP value of 3.6578 indicates that WU73F8Vfa7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 151.47 Ų indicates high polarity, suggesting WU73F8Vfa7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, WU73F8Vfa7 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of WU73F8Vfa7?
The CAS number of WU73F8Vfa7 is 352464-60-9.
What is the molecular formula of WU73F8Vfa7?
The molecular formula of WU73F8Vfa7 is C31H33FN4O9.
What is the molecular weight of WU73F8Vfa7?
The molecular weight of WU73F8Vfa7 is 624.22 g/mol.
Where can I buy WU73F8Vfa7?
You can request a quote for WU73F8Vfa7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WU73F8Vfa7?
Yes, KEHONG BIO provides custom synthesis services for WU73F8Vfa7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.