ChemDiv1_004886
TL;DR: ChemDiv1_004886 (CAS 354542-38-4) is a chemical compound with molecular formula C22H21NO5S and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-[(2-oxochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv1_004886, ethyl 6-methyl-2-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 6-methyl-2-(2-oxo-2H-chromene-3-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 6-methyl-2-(2-oxo-2H-chromene-3-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 6-methyl-2-[(2-oxochromen-3-yl)carbonylamino]-4,5,6,7-tetrahydrobenzo[b] thiophene-3-carboxylate
| Molecular Formula | C22H21NO5S |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 4.4083 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.11404 |
| Heavy Atoms | 29 |
| Complexity | 1159.7092 |
Chemical Identifiers
| CAS Number | 354542-38-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC4=CC=CC=C4OC3=O |
Product Overview
ChemDiv1_004886 (CAS 354542-38-4), with molecular formula C22H21NO5S and molecular weight 411.11 g/mol. IUPAC: ethyl 6-methyl-2-[(2-oxochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_004886
Property Insights of ChemDiv1_004886
The XLogP value of 4.4083 indicates that ChemDiv1_004886 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004886. Following Lipinski's Rule of Five, ChemDiv1_004886 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 ChemDiv1_004886?
The CAS number of ChemDiv1_004886 is 354542-38-4.
What is the molecular formula of ChemDiv1_004886?
The molecular formula of ChemDiv1_004886 is C22H21NO5S.
What is the molecular weight of ChemDiv1_004886?
The molecular weight of ChemDiv1_004886 is 411.11 g/mol.
Where can I buy ChemDiv1_004886?
You can request a quote for ChemDiv1_004886 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004886?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004886 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.