Celivarone fumarate
TL;DR: Celivarone fumarate (CAS 752253-75-1) is a chemical compound with molecular formula C38H51NO8 and molecular weight 649.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;propan-2-yl 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-1-benzofuran-5-carboxylate
Also Known As: Celivarone fumarate, Celivarone, SSR 149744C, SSR-149744C, 2-Butyl-3-(4-(3-(dibutylamino)propyl)benzoyl)-1-benzofuran-5-carboxylate isopropyl fumarate
| Molecular Formula | C38H51NO8 |
|---|---|
| Molecular Weight | 649.36 g/mol |
| LogP | 8.1182 |
| Topological Polar Surface Area | 134.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 19 |
| Exact Mass | 649.36145 |
| Heavy Atoms | 47 |
| Complexity | 1444.8192 |
Chemical Identifiers
| CAS Number | 752253-75-1 |
|---|---|
| SMILES | CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)CCCN(CCCC)CCCC.C(=C/C(=O)O)\C(=O)O |
Product Overview
Celivarone fumarate (CAS 752253-75-1), with molecular formula C38H51NO8 and molecular weight 649.36 g/mol. IUPAC: (E)-but-2-enedioic acid;propan-2-yl 2-butyl-3-[4-[3-(dibutylamino)propyl]benzoyl]-1-benzofuran-5-carboxylate.
Chemical Property Profile of Celivarone fumarate
Property Insights of Celivarone fumarate
The XLogP value of 8.1182 indicates that Celivarone fumarate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Celivarone fumarate. Following Lipinski's Rule of Five, Celivarone fumarate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Celivarone fumarate?
The CAS number of Celivarone fumarate is 752253-75-1.
What is the molecular formula of Celivarone fumarate?
The molecular formula of Celivarone fumarate is C38H51NO8.
What is the molecular weight of Celivarone fumarate?
The molecular weight of Celivarone fumarate is 649.36 g/mol.
Where can I buy Celivarone fumarate?
You can request a quote for Celivarone fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Celivarone fumarate?
Yes, KEHONG BIO provides custom synthesis services for Celivarone fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.