![1-{3-[1-(2-Amino-ethylsulfanyl)-2-nitro-ethyl]-indol-1-yl}-ethanone structure](/static/products/462/462599-73-1.png)
1-{3-[1-(2-Amino-ethylsulfanyl)-2-nitro-ethyl]-indol-1-yl}-ethanone
TL;DR: 1-{3-[1-(2-Amino-ethylsulfanyl)-2-nitro-ethyl]-indol-1-yl}-ethanone (CAS 462599-73-1) is a chemical compound with molecular formula C14H18ClN3O3S and molecular weight 343.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[1-(2-aminoethylsulfanyl)-2-nitroethyl]indol-1-yl]ethanone;hydrochloride
Also Known As: 1-{3-[1-(2-Amino-ethylsulfanyl)-2-nitro-ethyl]-indol-1-yl}-ethanone, 1-(3-(1-((2-aminoethyl)thio)-2-nitroethyl)-1H-indol-1-yl)ethanone hydrochloride, 1-[3-[1-(2-aminoethylsulfanyl)-2-nitroethyl]indol-1-yl]ethanone hydrochloride, REGID_for_CID_2827475
| Molecular Formula | C14H18ClN3O3S |
|---|---|
| Molecular Weight | 343.08 g/mol |
| LogP | 2.7329 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.07574 |
| Heavy Atoms | 22 |
| Complexity | 674.39685 |
Chemical Identifiers
| CAS Number | 462599-73-1 |
|---|---|
| SMILES | CC(=O)N1C=C(C2=CC=CC=C21)C(C[N+](=O)[O-])SCCN.Cl |
Product Overview
1-{3-[1-(2-Amino-ethylsulfanyl)-2-nitro-ethyl]-indol-1-yl}-ethanone (CAS 462599-73-1), with molecular formula C14H18ClN3O3S and molecular weight 343.08 g/mol. IUPAC: 1-[3-[1-(2-aminoethylsulfanyl)-2-nitroethyl]indol-1-yl]ethanone;hydrochloride.
Chemical Property Profile of 1-{3-[1-(2-Amino-ethylsulfanyl)-2-nitro-ethyl]-indol-1-yl}-ethanone
Property Insights of 1-{3-[1-(2-Amino-ethylsulfanyl)-2-nitro-ethyl]-indol-1-yl}-ethanone
The XLogP value of 2.7329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{3-[1-(2-Amino-ethylsulfanyl)-2-nitro-ethyl]-indol-1-yl}-ethanone. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{3-[1-(2-Amino-ethylsulfanyl)-2-nitro-ethyl]-indol-1-yl}-ethanone. Following Lipinski's Rule of Five, 1-{3-[1-(2-Amino-ethylsulfanyl)-2-nitro-ethyl]-indol-1-yl}-ethanone has 1 hydrogen bond donor(s) and 5 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 1-{3-[1-(2-Amino-ethylsulfanyl)-2-nitro-ethyl]-indol-1-yl}-ethanone?
The CAS number of 1-{3-[1-(2-Amino-ethylsulfanyl)-2-nitro-ethyl]-indol-1-yl}-ethanone is 462599-73-1.
What is the molecular formula of 1-{3-[1-(2-Amino-ethylsulfanyl)-2-nitro-ethyl]-indol-1-yl}-ethanone?
The molecular formula of 1-{3-[1-(2-Amino-ethylsulfanyl)-2-nitro-ethyl]-indol-1-yl}-ethanone is C14H18ClN3O3S.
What is the molecular weight of 1-{3-[1-(2-Amino-ethylsulfanyl)-2-nitro-ethyl]-indol-1-yl}-ethanone?
The molecular weight of 1-{3-[1-(2-Amino-ethylsulfanyl)-2-nitro-ethyl]-indol-1-yl}-ethanone is 343.08 g/mol.
Where can I buy 1-{3-[1-(2-Amino-ethylsulfanyl)-2-nitro-ethyl]-indol-1-yl}-ethanone?
You can request a quote for 1-{3-[1-(2-Amino-ethylsulfanyl)-2-nitro-ethyl]-indol-1-yl}-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{3-[1-(2-Amino-ethylsulfanyl)-2-nitro-ethyl]-indol-1-yl}-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-{3-[1-(2-Amino-ethylsulfanyl)-2-nitro-ethyl]-indol-1-yl}-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.