N-(2-morpholinoethyl)-5-nitro-1-benzothiophene-2-carboxamide
TL;DR: N-(2-morpholinoethyl)-5-nitro-1-benzothiophene-2-carboxamide (CAS 478076-68-5) is a chemical compound with molecular formula C15H17N3O4S and molecular weight 335.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-morpholin-4-ylethyl)-5-nitro-1-benzothiophene-2-carboxamide
Also Known As: N-(2-morpholinoethyl)-5-nitro-1-benzothiophene-2-carboxamide, N-(2-morpholin-4-ylethyl)-5-nitro-1-benzothiophene-2-carboxamide, N-[2-(morpholin-4-yl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide, N-(2-morpholin-4-ylethyl)-5-nitro-benzothiophene-2-carboxamide
| Molecular Formula | C15H17N3O4S |
|---|---|
| Molecular Weight | 335.09 g/mol |
| LogP | 1.8715 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.09396 |
| Heavy Atoms | 23 |
| Complexity | 724.5803 |
Chemical Identifiers
| CAS Number | 478076-68-5 |
|---|---|
| SMILES | C1COCCN1CCNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-] |
Product Overview
N-(2-morpholinoethyl)-5-nitro-1-benzothiophene-2-carboxamide (CAS 478076-68-5), with molecular formula C15H17N3O4S and molecular weight 335.09 g/mol. IUPAC: N-(2-morpholin-4-ylethyl)-5-nitro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-(2-morpholinoethyl)-5-nitro-1-benzothiophene-2-carboxamide
Property Insights of N-(2-morpholinoethyl)-5-nitro-1-benzothiophene-2-carboxamide
The XLogP value of 1.8715 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-morpholinoethyl)-5-nitro-1-benzothiophene-2-carboxamide. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-morpholinoethyl)-5-nitro-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, N-(2-morpholinoethyl)-5-nitro-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 6 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-morpholinoethyl)-5-nitro-1-benzothiophene-2-carboxamide?
The CAS number of N-(2-morpholinoethyl)-5-nitro-1-benzothiophene-2-carboxamide is 478076-68-5.
What is the molecular formula of N-(2-morpholinoethyl)-5-nitro-1-benzothiophene-2-carboxamide?
The molecular formula of N-(2-morpholinoethyl)-5-nitro-1-benzothiophene-2-carboxamide is C15H17N3O4S.
What is the molecular weight of N-(2-morpholinoethyl)-5-nitro-1-benzothiophene-2-carboxamide?
The molecular weight of N-(2-morpholinoethyl)-5-nitro-1-benzothiophene-2-carboxamide is 335.09 g/mol.
Where can I buy N-(2-morpholinoethyl)-5-nitro-1-benzothiophene-2-carboxamide?
You can request a quote for N-(2-morpholinoethyl)-5-nitro-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-morpholinoethyl)-5-nitro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-morpholinoethyl)-5-nitro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.