RefChem:504098
TL;DR: RefChem:504098 (CAS 617694-03-8) is a chemical compound with molecular formula C27H26N2O3S and molecular weight 458.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[3-(2-phenylethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzofuran-2-carboxamide
Also Known As: SALOR-INT L435945-1EA, 3-Methyl-N-(3-(phenethylcarbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzofuran-2-carboxamide, 3-methyl-N-(3-{[(2-phenylethyl)amino]carbonyl}-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-benzofuran-2-carboxamide, 3-Methyl-N-(3-(((2-phenylethyl)amino)carbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-YL)-1-benzofuran-2-carboxamide, 3-methyl-N-[3-(2-phenylethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzofuran-2-carboxamide
| Molecular Formula | C27H26N2O3S |
|---|---|
| Molecular Weight | 458.17 g/mol |
| LogP | 5.90632 |
| Topological Polar Surface Area | 71.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.1664 |
| Heavy Atoms | 33 |
| Complexity | 1320.1484 |
Chemical Identifiers
| CAS Number | 617694-03-8 |
|---|---|
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCCC5=CC=CC=C5 |
Product Overview
RefChem:504098 (CAS 617694-03-8), with molecular formula C27H26N2O3S and molecular weight 458.17 g/mol. IUPAC: 3-methyl-N-[3-(2-phenylethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzofuran-2-carboxamide.
Chemical Property Profile of RefChem:504098
Property Insights of RefChem:504098
The XLogP value of 5.90632 indicates that RefChem:504098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.34 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:504098. Following Lipinski's Rule of Five, RefChem:504098 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:504098?
The CAS number of RefChem:504098 is 617694-03-8.
What is the molecular formula of RefChem:504098?
The molecular formula of RefChem:504098 is C27H26N2O3S.
What is the molecular weight of RefChem:504098?
The molecular weight of RefChem:504098 is 458.17 g/mol.
Where can I buy RefChem:504098?
You can request a quote for RefChem:504098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:504098?
Yes, KEHONG BIO provides custom synthesis services for RefChem:504098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.