N'-(2-aminoethyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)oxamide
TL;DR: N'-(2-aminoethyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)oxamide (CAS 904009-99-0) is a chemical compound with molecular formula C13H18N4O3S and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-aminoethyl)-N'-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxamide
Also Known As: N'-(2-aminoethyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)oxamide, N-(2-aminoethyl)-N'-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanediamide, N-(2-aminoethyl)-N'-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxamide, N1-(2-aminoethyl)-N2-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)oxalamide
| Molecular Formula | C13H18N4O3S |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | -0.2608 |
| Topological Polar Surface Area | 127.31 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.10995 |
| Heavy Atoms | 21 |
| Complexity | 582.2167 |
Chemical Identifiers
| CAS Number | 904009-99-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C(=O)NCCN)C(=O)N |
Product Overview
N'-(2-aminoethyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)oxamide (CAS 904009-99-0), with molecular formula C13H18N4O3S and molecular weight 310.11 g/mol. IUPAC: N-(2-aminoethyl)-N'-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)oxamide.
Chemical Property Profile of N'-(2-aminoethyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)oxamide
Property Insights of N'-(2-aminoethyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)oxamide
The XLogP value of -0.2608 indicates that N'-(2-aminoethyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)oxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(2-aminoethyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)oxamide. Following Lipinski's Rule of Five, N'-(2-aminoethyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)oxamide has 4 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 N'-(2-aminoethyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)oxamide?
The CAS number of N'-(2-aminoethyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)oxamide is 904009-99-0.
What is the molecular formula of N'-(2-aminoethyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)oxamide?
The molecular formula of N'-(2-aminoethyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)oxamide is C13H18N4O3S.
What is the molecular weight of N'-(2-aminoethyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)oxamide?
The molecular weight of N'-(2-aminoethyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)oxamide is 310.11 g/mol.
Where can I buy N'-(2-aminoethyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)oxamide?
You can request a quote for N'-(2-aminoethyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)oxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(2-aminoethyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)oxamide?
Yes, KEHONG BIO provides custom synthesis services for N'-(2-aminoethyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)oxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.