A2606/0110757
TL;DR: A2606/0110757 (CAS 447409-12-3) is a chemical compound with molecular formula C20H22N2O5S and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-ethyl-2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: A2606/0110757, ethyl 6-ethyl-2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 6-ethyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 6-ETHYL-2-(2-NITROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 6-ethyl-2-[(2-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydrobenzo[b]thiop hene-3-carboxylate
| Molecular Formula | C20H22N2O5S |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 4.6002 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.12494 |
| Heavy Atoms | 28 |
| Complexity | 921.315 |
Chemical Identifiers
| CAS Number | 447409-12-3 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
A2606/0110757 (CAS 447409-12-3), with molecular formula C20H22N2O5S and molecular weight 402.12 g/mol. IUPAC: ethyl 6-ethyl-2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of A2606/0110757
Property Insights of A2606/0110757
The XLogP value of 4.6002 indicates that A2606/0110757 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for A2606/0110757. Following Lipinski's Rule of Five, A2606/0110757 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 A2606/0110757?
The CAS number of A2606/0110757 is 447409-12-3.
What is the molecular formula of A2606/0110757?
The molecular formula of A2606/0110757 is C20H22N2O5S.
What is the molecular weight of A2606/0110757?
The molecular weight of A2606/0110757 is 402.12 g/mol.
Where can I buy A2606/0110757?
You can request a quote for A2606/0110757 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2606/0110757?
Yes, KEHONG BIO provides custom synthesis services for A2606/0110757 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.