N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-hydroxyethyl)oxamide
TL;DR: N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-hydroxyethyl)oxamide (CAS 904007-92-7) is a chemical compound with molecular formula C13H15N3O3S and molecular weight 293.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-hydroxyethyl)oxamide
Also Known As: N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-hydroxyethyl)oxamide, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N'-(2-hydroxyethyl)ethanediamide, N1-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-N2-(2-hydroxyethyl)oxalamide
| Molecular Formula | C13H15N3O3S |
|---|---|
| Molecular Weight | 293.08 g/mol |
| LogP | 0.54558 |
| Topological Polar Surface Area | 102.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.0834 |
| Heavy Atoms | 20 |
| Complexity | 574.1519 |
Chemical Identifiers
| CAS Number | 904007-92-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C(=O)NCCO)C#N |
Product Overview
N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-hydroxyethyl)oxamide (CAS 904007-92-7), with molecular formula C13H15N3O3S and molecular weight 293.08 g/mol. IUPAC: N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-hydroxyethyl)oxamide.
Chemical Property Profile of N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-hydroxyethyl)oxamide
Property Insights of N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-hydroxyethyl)oxamide
The XLogP value of 0.54558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-hydroxyethyl)oxamide. The TPSA of 102.22 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-hydroxyethyl)oxamide. Following Lipinski's Rule of Five, N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-hydroxyethyl)oxamide has 3 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'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-hydroxyethyl)oxamide?
The CAS number of N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-hydroxyethyl)oxamide is 904007-92-7.
What is the molecular formula of N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-hydroxyethyl)oxamide?
The molecular formula of N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-hydroxyethyl)oxamide is C13H15N3O3S.
What is the molecular weight of N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-hydroxyethyl)oxamide?
The molecular weight of N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-hydroxyethyl)oxamide is 293.08 g/mol.
Where can I buy N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-hydroxyethyl)oxamide?
You can request a quote for N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-hydroxyethyl)oxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-hydroxyethyl)oxamide?
Yes, KEHONG BIO provides custom synthesis services for N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(2-hydroxyethyl)oxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.