N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-methoxybenzamide
TL;DR: N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-methoxybenzamide (CAS 851412-86-7) is a chemical compound with molecular formula C27H27N3O3S and molecular weight 473.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methoxybenzamide
Also Known As: N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-methoxybenzamide, F0617-0014, N-[2-(3-{[(benzylcarbamoyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-methoxybenzamide, N-[2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methoxybenzamide, N-[2-[3-(benzylcarbamoylmethylsulfanyl)indol-1-yl]ethyl]-4-methoxy-benzamide
| Molecular Formula | C27H27N3O3S |
|---|---|
| Molecular Weight | 473.18 g/mol |
| LogP | 4.4884 |
| Topological Polar Surface Area | 72.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 473.1773 |
| Heavy Atoms | 34 |
| Complexity | 1253.3617 |
Chemical Identifiers
| CAS Number | 851412-86-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NCCN2C=C(C3=CC=CC=C32)SCC(=O)NCC4=CC=CC=C4 |
Product Overview
N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-methoxybenzamide (CAS 851412-86-7), with molecular formula C27H27N3O3S and molecular weight 473.18 g/mol. IUPAC: N-[2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-4-methoxybenzamide.
Chemical Property Profile of N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-methoxybenzamide
Property Insights of N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-methoxybenzamide
The XLogP value of 4.4884 indicates that N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-methoxybenzamide. Following Lipinski's Rule of Five, N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-methoxybenzamide has 2 hydrogen bond donor(s) and 4 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 N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-methoxybenzamide?
The CAS number of N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-methoxybenzamide is 851412-86-7.
What is the molecular formula of N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-methoxybenzamide?
The molecular formula of N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-methoxybenzamide is C27H27N3O3S.
What is the molecular weight of N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-methoxybenzamide?
The molecular weight of N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-methoxybenzamide is 473.18 g/mol.
Where can I buy N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-methoxybenzamide?
You can request a quote for N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-(3-((2-(benzylamino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.