![ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ylacetyl)amino]indole-3-carboxylate structure](/static/products/840/840472-03-9.png)
ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ylacetyl)amino]indole-3-carboxylate
TL;DR: ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ylacetyl)amino]indole-3-carboxylate (CAS 840472-03-9) is a chemical compound with molecular formula C20H27N3O4S and molecular weight 405.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ylacetyl)amino]indole-3-carboxylate
Also Known As: ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ylacetyl)amino]indole-3-carboxylate, ethyl 5-methoxy-1,2-dimethyl-4-(2-thiomorpholin-4-ylethanoylamino)indole-3-carboxylate, ethyl 5-methoxy-1,2-dimethyl-4-(2-thiomorpholinoacetamido)-1H-indole-3-carboxylate, ethyl 5-methoxy-1,2-dimethyl-4-[(thiomorpholin-4-ylacetyl)amino]-1H-indole-3-carboxylate, 5-methoxy-1,2-dimethyl-4-[(1-oxo-2-thiomorpholin-4-ylethyl)amino]-3-indolecarboxylic acid ethyl ester
| Molecular Formula | C20H27N3O4S |
|---|---|
| Molecular Weight | 405.17 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.17224 |
| Heavy Atoms | 28 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 840472-03-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C(=C(C=C2)OC)NC(=O)CN3CCSCC3)C)C |
| InChIKey | PFTWVLPQHVIVLV-UHFFFAOYSA-N |
Product Overview
ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ylacetyl)amino]indole-3-carboxylate (CAS 840472-03-9), with molecular formula C20H27N3O4S and molecular weight 405.17 g/mol. IUPAC: ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ylacetyl)amino]indole-3-carboxylate.
Chemical Property Profile of ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ylacetyl)amino]indole-3-carboxylate
Property Insights of ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ylacetyl)amino]indole-3-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ylacetyl)amino]indole-3-carboxylate. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ylacetyl)amino]indole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ylacetyl)amino]indole-3-carboxylate 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 ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ylacetyl)amino]indole-3-carboxylate?
The CAS number of ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ylacetyl)amino]indole-3-carboxylate is 840472-03-9.
What is the molecular formula of ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ylacetyl)amino]indole-3-carboxylate?
The molecular formula of ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ylacetyl)amino]indole-3-carboxylate is C20H27N3O4S.
What is the molecular weight of ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ylacetyl)amino]indole-3-carboxylate?
The molecular weight of ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ylacetyl)amino]indole-3-carboxylate is 405.17 g/mol.
Where can I buy ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ylacetyl)amino]indole-3-carboxylate?
You can request a quote for ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ylacetyl)amino]indole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ylacetyl)amino]indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-methoxy-1,2-dimethyl-4-[(2-thiomorpholin-4-ylacetyl)amino]indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.