![3,4-dimethoxy-N-(2-{3-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide structure](/static/products/851/851715-39-4.png)
3,4-dimethoxy-N-(2-{3-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide
TL;DR: 3,4-dimethoxy-N-(2-{3-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide (CAS 851715-39-4) is a chemical compound with molecular formula C26H31N3O5S and molecular weight 497.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethoxy-N-[2-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide
Also Known As: 3,4-dimethoxy-N-(2-{3-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide, 3,4-dimethoxy-N-(2-(3-((2-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)ethyl)thio)-1H-indol-1-yl)ethyl)benzamide, 3,4-dimethoxy-N-[2-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide, 3,4-dimethoxy-N-[2-[3-(oxolan-2-ylmethylcarbamoylmethylsulfanyl)indol-1-yl]ethyl]benzamide
| Molecular Formula | C26H31N3O5S |
|---|---|
| Molecular Weight | 497.20 g/mol |
| LogP | 3.4758 |
| Topological Polar Surface Area | 90.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 497.19846 |
| Heavy Atoms | 35 |
| Complexity | 1173.0037 |
Chemical Identifiers
| CAS Number | 851715-39-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NCC4CCCO4)OC |
Product Overview
3,4-dimethoxy-N-(2-{3-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide (CAS 851715-39-4), with molecular formula C26H31N3O5S and molecular weight 497.20 g/mol. IUPAC: 3,4-dimethoxy-N-[2-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylindol-1-yl]ethyl]benzamide.
Chemical Property Profile of 3,4-dimethoxy-N-(2-{3-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide
Property Insights of 3,4-dimethoxy-N-(2-{3-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide
The XLogP value of 3.4758 indicates that 3,4-dimethoxy-N-(2-{3-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-dimethoxy-N-(2-{3-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide. Following Lipinski's Rule of Five, 3,4-dimethoxy-N-(2-{3-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide has 2 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 3,4-dimethoxy-N-(2-{3-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide?
The CAS number of 3,4-dimethoxy-N-(2-{3-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide is 851715-39-4.
What is the molecular formula of 3,4-dimethoxy-N-(2-{3-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide?
The molecular formula of 3,4-dimethoxy-N-(2-{3-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide is C26H31N3O5S.
What is the molecular weight of 3,4-dimethoxy-N-(2-{3-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide?
The molecular weight of 3,4-dimethoxy-N-(2-{3-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide is 497.20 g/mol.
Where can I buy 3,4-dimethoxy-N-(2-{3-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide?
You can request a quote for 3,4-dimethoxy-N-(2-{3-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dimethoxy-N-(2-{3-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethoxy-N-(2-{3-[({[(oxolan-2-yl)methyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.