Emd 53998
TL;DR: Emd 53998 (CAS 18002-25-0) is a chemical compound with molecular formula C22H23N3O4S and molecular weight 425.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
Also Known As: (+)-EMD 57033, Myosin atpase activator, emd57003, (+)EMD 57033, (-)-EMD 57439, EMD-53998, (+)-
| Molecular Formula | C22H23N3O4S |
|---|---|
| Molecular Weight | 425.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.14093 |
| Heavy Atoms | 30 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 18002-25-0 |
|---|---|
| SMILES | CC1C(=NNC(=O)S1)C2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC(=C(C=C4)OC)OC |
| InChIKey | IZLRMTJLQCLMKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Emd 53998 (CAS 18002-25-0), with molecular formula C22H23N3O4S and molecular weight 425.14 g/mol. IUPAC: 5-[1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one.
Chemical Property Profile of Emd 53998
Property Insights of Emd 53998
The XLogP value of 3.8 indicates that Emd 53998 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Emd 53998. Following Lipinski's Rule of Five, Emd 53998 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Emd 53998?
The CAS number of Emd 53998 is 18002-25-0.
What is the molecular formula of Emd 53998?
The molecular formula of Emd 53998 is C22H23N3O4S.
What is the molecular weight of Emd 53998?
The molecular weight of Emd 53998 is 425.14 g/mol.
Where can I buy Emd 53998?
You can request a quote for Emd 53998 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emd 53998?
Yes, KEHONG BIO provides custom synthesis services for Emd 53998 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.