ChemDiv3_007914
TL;DR: ChemDiv3_007914 (CAS 686743-77-1) is a chemical compound with molecular formula C23H26N2O5S2 and molecular weight 474.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(1-ethylindol-3-yl)sulfonylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv3_007914, IDI1_025824, ethyl 2-(2-((1-ethyl-1H-indol-3-yl)sulfonyl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-{2-[(1-ethyl-1H-indol-3-yl)sulfonyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[2-(1-ethylindol-3-yl)sulfonylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C23H26N2O5S2 |
|---|---|
| Molecular Weight | 474.13 g/mol |
| LogP | 4.1906 |
| Topological Polar Surface Area | 94.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.12833 |
| Heavy Atoms | 32 |
| Complexity | 1287.1898 |
Chemical Identifiers
| CAS Number | 686743-77-1 |
|---|---|
| SMILES | CCN1C=C(C2=CC=CC=C21)S(=O)(=O)CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC |
Product Overview
ChemDiv3_007914 (CAS 686743-77-1), with molecular formula C23H26N2O5S2 and molecular weight 474.13 g/mol. IUPAC: ethyl 2-[[2-(1-ethylindol-3-yl)sulfonylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ChemDiv3_007914
Property Insights of ChemDiv3_007914
The XLogP value of 4.1906 indicates that ChemDiv3_007914 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.47 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_007914. Following Lipinski's Rule of Five, ChemDiv3_007914 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 ChemDiv3_007914?
The CAS number of ChemDiv3_007914 is 686743-77-1.
What is the molecular formula of ChemDiv3_007914?
The molecular formula of ChemDiv3_007914 is C23H26N2O5S2.
What is the molecular weight of ChemDiv3_007914?
The molecular weight of ChemDiv3_007914 is 474.13 g/mol.
Where can I buy ChemDiv3_007914?
You can request a quote for ChemDiv3_007914 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_007914?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_007914 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.