RefChem:1078847
TL;DR: RefChem:1078847 (CAS 123575-25-7) is a chemical compound with molecular formula C27H30FN3O6 and molecular weight 511.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;2-[4-[2-(dimethylamino)propoxy]phenyl]-9-fluoro-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one
Also Known As: Benzo(h)cinnolin-3(2H)-one, 2-(4-(2-(dimethylamino)propoxy)phenyl)-9-fluoro-4,4a,5,6-tetrahydro-, (E)-2-butenedioate, (E)-but-2-enedioic acid; 2-[4-[2-(dimethylamino)propoxy]phenyl]-9-fluoro-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one, RefChem:1078847
| Molecular Formula | C27H30FN3O6 |
|---|---|
| Molecular Weight | 511.21 g/mol |
| LogP | 3.5698 |
| Topological Polar Surface Area | 119.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 511.21185 |
| Heavy Atoms | 37 |
| Complexity | 1193.1222 |
Chemical Identifiers
| CAS Number | 123575-25-7 |
|---|---|
| SMILES | CC(COC1=CC=C(C=C1)N2C(=O)CC3CCC4=C(C3=N2)C=C(C=C4)F)N(C)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1078847 (CAS 123575-25-7), with molecular formula C27H30FN3O6 and molecular weight 511.21 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[4-[2-(dimethylamino)propoxy]phenyl]-9-fluoro-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one.
Chemical Property Profile of RefChem:1078847
Property Insights of RefChem:1078847
The XLogP value of 3.5698 indicates that RefChem:1078847 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.74 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1078847. Following Lipinski's Rule of Five, RefChem:1078847 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 RefChem:1078847?
The CAS number of RefChem:1078847 is 123575-25-7.
What is the molecular formula of RefChem:1078847?
The molecular formula of RefChem:1078847 is C27H30FN3O6.
What is the molecular weight of RefChem:1078847?
The molecular weight of RefChem:1078847 is 511.21 g/mol.
Where can I buy RefChem:1078847?
You can request a quote for RefChem:1078847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078847?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.