Levosemotiadil Fumarate
TL;DR: Levosemotiadil Fumarate (CAS 116476-17-6) is a chemical compound with molecular formula C33H36N2O10S and molecular weight 652.20905 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[2-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methylamino]propoxy]-5-methoxyphenyl]-4-methyl-1,4-benzothiazin-3-one;(E)-but-2-enedioic acid
Also Known As: Levosemotiadil, LEVOSEMOTIADIL FUMARATE, Sesamodil, Levosemotiadil fumarate [JAN], SA 3212
Technical Specifications
| Molecular Formula | C33H36N2O10S |
| Molecular Weight | 652.20905 g/mol |
| XLogP | 4.7252 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 652.20905 Da |
| Heavy Atoms | 46 |
| Complexity | 880.0 |
| SMILES | CN1C2=CC=CC=C2S[C@H](C1=O)C3=C(C=CC(=C3)OC)OCCCN(C)CCOC4=CC5=C(C=C4)OCO5.C(=C/C(=O)O)\C(=O)O |
| InChIKey | DIEJEELGDWGUCV-NQTKYQIASA-N |
Chemical Property Profile of Levosemotiadil Fumarate
Property Insights of Levosemotiadil Fumarate
The XLogP value of 4.7252 indicates that Levosemotiadil Fumarate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting Levosemotiadil Fumarate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Levosemotiadil Fumarate has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Levosemotiadil Fumarate?
The CAS number of Levosemotiadil Fumarate is 116476-17-6.
What is the molecular formula of Levosemotiadil Fumarate?
The molecular formula of Levosemotiadil Fumarate is C33H36N2O10S.
What is the molecular weight of Levosemotiadil Fumarate?
The molecular weight of Levosemotiadil Fumarate is 652.20905 g/mol.
Where can I buy Levosemotiadil Fumarate?
You can request a quote for Levosemotiadil Fumarate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Levosemotiadil Fumarate?
Yes, CoreyChem provides custom synthesis services for Levosemotiadil Fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.