Siramesine Fumarate Salt
TL;DR: Siramesine Fumarate Salt (CAS 163630-79-3) is a chemical compound with molecular formula C34H35FN2O5 and molecular weight 570.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
Also Known As: Siramesine Fumarate, Siramesine Fumarate Salt, Siramesine (fumarate), Lu 28-179, 163630-79-3 (fumarate)
| Molecular Formula | C34H35FN2O5 |
|---|---|
| Molecular Weight | 570.25 g/mol |
| LogP | 6.3256 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 570.253 |
| Heavy Atoms | 42 |
| Complexity | 1552.6125 |
Chemical Identifiers
| CAS Number | 163630-79-3 |
|---|---|
| SMILES | C1CN(CCC12C3=CC=CC=C3CO2)CCCCC4=CN(C5=CC=CC=C54)C6=CC=C(C=C6)F.C(=C/C(=O)O)\C(=O)O |
Product Overview
Siramesine Fumarate Salt (CAS 163630-79-3), with molecular formula C34H35FN2O5 and molecular weight 570.25 g/mol. IUPAC: (E)-but-2-enedioic acid;1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine].
Chemical Property Profile of Siramesine Fumarate Salt
Property Insights of Siramesine Fumarate Salt
The XLogP value of 6.3256 indicates that Siramesine Fumarate Salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Siramesine Fumarate Salt. Following Lipinski's Rule of Five, Siramesine Fumarate Salt has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Siramesine Fumarate Salt?
The CAS number of Siramesine Fumarate Salt is 163630-79-3.
What is the molecular formula of Siramesine Fumarate Salt?
The molecular formula of Siramesine Fumarate Salt is C34H35FN2O5.
What is the molecular weight of Siramesine Fumarate Salt?
The molecular weight of Siramesine Fumarate Salt is 570.25 g/mol.
Where can I buy Siramesine Fumarate Salt?
You can request a quote for Siramesine Fumarate Salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Siramesine Fumarate Salt?
Yes, KEHONG BIO provides custom synthesis services for Siramesine Fumarate Salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.