N-[2-(3-{[2-(2,3-Dimethylanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide
TL;DR: N-[2-(3-{[2-(2,3-Dimethylanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide (CAS 6229-37-4) is a chemical compound with molecular formula C29H31N3O2S and molecular weight 485.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3,4-dimethylbenzamide
Also Known As: N-[2-(3-{[2-(2,3-Dimethylanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide, N-[2-[3-[(2,3-dimethylphenyl)carbamoylmethylsulfanyl]indol-1-yl]ethyl]-3,4-dimethyl-benzamide, N-[2-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3,4-dimethylbenzamide
| Molecular Formula | C29H31N3O2S |
|---|---|
| Molecular Weight | 485.21 g/mol |
| LogP | 6.03578 |
| Topological Polar Surface Area | 63.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.21368 |
| Heavy Atoms | 35 |
| Complexity | 1390.2084 |
Chemical Identifiers
| CAS Number | 6229-37-4 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC(=C(C=C4)C)C)C |
Product Overview
N-[2-(3-{[2-(2,3-Dimethylanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide (CAS 6229-37-4), with molecular formula C29H31N3O2S and molecular weight 485.21 g/mol. IUPAC: N-[2-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3,4-dimethylbenzamide.
Chemical Property Profile of N-[2-(3-{[2-(2,3-Dimethylanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide
Property Insights of N-[2-(3-{[2-(2,3-Dimethylanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide
The XLogP value of 6.03578 indicates that N-[2-(3-{[2-(2,3-Dimethylanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.13 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3-{[2-(2,3-Dimethylanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide. Following Lipinski's Rule of Five, N-[2-(3-{[2-(2,3-Dimethylanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[2-(3-{[2-(2,3-Dimethylanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide?
The CAS number of N-[2-(3-{[2-(2,3-Dimethylanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide is 6229-37-4.
What is the molecular formula of N-[2-(3-{[2-(2,3-Dimethylanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide?
The molecular formula of N-[2-(3-{[2-(2,3-Dimethylanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide is C29H31N3O2S.
What is the molecular weight of N-[2-(3-{[2-(2,3-Dimethylanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide?
The molecular weight of N-[2-(3-{[2-(2,3-Dimethylanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide is 485.21 g/mol.
Where can I buy N-[2-(3-{[2-(2,3-Dimethylanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide?
You can request a quote for N-[2-(3-{[2-(2,3-Dimethylanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide 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-(2,3-Dimethylanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3-{[2-(2,3-Dimethylanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.