Semotiadil
TL;DR: Semotiadil (CAS 116476-13-2) is a chemical compound with molecular formula C29H32N2O6S and molecular weight 536.1981 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-[2-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methylamino]propoxy]-5-methoxyphenyl]-4-methyl-1,4-benzothiazin-3-one
Also Known As: Semotiadil, Sesamodil, Semotiadilum, Semotiadil [INN], Sesamodil fumarate
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C29H32N2O6S |
| Molecular Weight | 536.1981 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 95.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 536.1981 Da |
| Heavy Atoms | 38 |
| Complexity | 761.0 |
| SMILES | CN1C2=CC=CC=C2S[C@@H](C1=O)C3=C(C=CC(=C3)OC)OCCCN(C)CCOC4=CC5=C(C=C4)OCO5 |
| InChIKey | RKXVEXUAWGRFNP-MUUNZHRXSA-N |
Chemical Property Profile of Semotiadil
Property Insights of Semotiadil
The XLogP value of 5.1 indicates that Semotiadil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Semotiadil. Following Lipinski's Rule of Five, Semotiadil has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Semotiadil?
The CAS number of Semotiadil is 116476-13-2.
What is the molecular formula of Semotiadil?
The molecular formula of Semotiadil is C29H32N2O6S.
What is the molecular weight of Semotiadil?
The molecular weight of Semotiadil is 536.1981 g/mol.
Where can I buy Semotiadil?
You can request a quote for Semotiadil directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Semotiadil?
Yes, CoreyChem provides custom synthesis services for Semotiadil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.