Benzo(h)cinnolin-3(2H)-one, 2-(4-(2-(dimethylamino)propoxy)phenyl)-9-fluoro-5,6-dihydro-, (E)-2-butenedioate
TL;DR: Benzo(h)cinnolin-3(2H)-one, 2-(4-(2-(dimethylamino)propoxy)phenyl)-9-fluoro-5,6-dihydro-, (E)-2-butenedioate (CAS 123575-22-4) is a chemical compound with molecular formula C27H28FN3O6 and molecular weight 509.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;2-[4-[2-(dimethylamino)propoxy]phenyl]-9-fluoro-5,6-dihydrobenzo[h]cinnolin-3-one
Also Known As: Benzo(h)cinnolin-3(2H)-one, 2-(4-(2-(dimethylamino)propoxy)phenyl)-9-fluoro-5,6-dihydro-, (E)-2-butenedioate, 9-Fluoro-2-(4-(2-dimethylaminopropoxy)phenyl)-5,6-dihydrobenzo(h)cinnolin-3(2H)-one fumarate
| Molecular Formula | C27H28FN3O6 |
|---|---|
| Molecular Weight | 509.20 g/mol |
| LogP | 3.1779 |
| Topological Polar Surface Area | 121.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.19623 |
| Heavy Atoms | 37 |
| Complexity | 1349.5447 |
Chemical Identifiers
| CAS Number | 123575-22-4 |
|---|---|
| SMILES | CC(COC1=CC=C(C=C1)N2C(=O)C=C3CCC4=C(C3=N2)C=C(C=C4)F)N(C)C.C(=CC(=O)O)C(=O)O |
Product Overview
Benzo(h)cinnolin-3(2H)-one, 2-(4-(2-(dimethylamino)propoxy)phenyl)-9-fluoro-5,6-dihydro-, (E)-2-butenedioate (CAS 123575-22-4), with molecular formula C27H28FN3O6 and molecular weight 509.20 g/mol. IUPAC: but-2-enedioic acid;2-[4-[2-(dimethylamino)propoxy]phenyl]-9-fluoro-5,6-dihydrobenzo[h]cinnolin-3-one.
Chemical Property Profile of Benzo(h)cinnolin-3(2H)-one, 2-(4-(2-(dimethylamino)propoxy)phenyl)-9-fluoro-5,6-dihydro-, (E)-2-butenedioate
Property Insights of Benzo(h)cinnolin-3(2H)-one, 2-(4-(2-(dimethylamino)propoxy)phenyl)-9-fluoro-5,6-dihydro-, (E)-2-butenedioate
The XLogP value of 3.1779 indicates that Benzo(h)cinnolin-3(2H)-one, 2-(4-(2-(dimethylamino)propoxy)phenyl)-9-fluoro-5,6-dihydro-, (E)-2-butenedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(h)cinnolin-3(2H)-one, 2-(4-(2-(dimethylamino)propoxy)phenyl)-9-fluoro-5,6-dihydro-, (E)-2-butenedioate. Following Lipinski's Rule of Five, Benzo(h)cinnolin-3(2H)-one, 2-(4-(2-(dimethylamino)propoxy)phenyl)-9-fluoro-5,6-dihydro-, (E)-2-butenedioate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo(h)cinnolin-3(2H)-one, 2-(4-(2-(dimethylamino)propoxy)phenyl)-9-fluoro-5,6-dihydro-, (E)-2-butenedioate?
The CAS number of Benzo(h)cinnolin-3(2H)-one, 2-(4-(2-(dimethylamino)propoxy)phenyl)-9-fluoro-5,6-dihydro-, (E)-2-butenedioate is 123575-22-4.
What is the molecular formula of Benzo(h)cinnolin-3(2H)-one, 2-(4-(2-(dimethylamino)propoxy)phenyl)-9-fluoro-5,6-dihydro-, (E)-2-butenedioate?
The molecular formula of Benzo(h)cinnolin-3(2H)-one, 2-(4-(2-(dimethylamino)propoxy)phenyl)-9-fluoro-5,6-dihydro-, (E)-2-butenedioate is C27H28FN3O6.
What is the molecular weight of Benzo(h)cinnolin-3(2H)-one, 2-(4-(2-(dimethylamino)propoxy)phenyl)-9-fluoro-5,6-dihydro-, (E)-2-butenedioate?
The molecular weight of Benzo(h)cinnolin-3(2H)-one, 2-(4-(2-(dimethylamino)propoxy)phenyl)-9-fluoro-5,6-dihydro-, (E)-2-butenedioate is 509.20 g/mol.
Where can I buy Benzo(h)cinnolin-3(2H)-one, 2-(4-(2-(dimethylamino)propoxy)phenyl)-9-fluoro-5,6-dihydro-, (E)-2-butenedioate?
You can request a quote for Benzo(h)cinnolin-3(2H)-one, 2-(4-(2-(dimethylamino)propoxy)phenyl)-9-fluoro-5,6-dihydro-, (E)-2-butenedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(h)cinnolin-3(2H)-one, 2-(4-(2-(dimethylamino)propoxy)phenyl)-9-fluoro-5,6-dihydro-, (E)-2-butenedioate?
Yes, KEHONG BIO provides custom synthesis services for Benzo(h)cinnolin-3(2H)-one, 2-(4-(2-(dimethylamino)propoxy)phenyl)-9-fluoro-5,6-dihydro-, (E)-2-butenedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.