Ethyl (2-(5-nitrothiophene-2-carboxamido)thiophene-3-carbonyl)carbamate
TL;DR: Ethyl (2-(5-nitrothiophene-2-carboxamido)thiophene-3-carbonyl)carbamate (CAS 864941-31-1) is a chemical compound with molecular formula C13H11N3O6S2 and molecular weight 369.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-[(5-nitrothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
Also Known As: EACC, ethyl (2-(5-nitrothiophene-2-carboxamido)thiophene-3-carbonyl)carbamate, Ethyl N-[2-[(5-nitrothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate, 2-(5-nitro-2-thenylamino)-3-thenoyl ethanecarbamate, N/A
| Molecular Formula | C13H11N3O6S2 |
|---|---|
| Molecular Weight | 369.01 g/mol |
| LogP | 2.8564 |
| Topological Polar Surface Area | 127.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.00894 |
| Heavy Atoms | 24 |
| Complexity | 797.2372 |
Chemical Identifiers
| CAS Number | 864941-31-1 |
|---|---|
| SMILES | CCOC(=O)NC(=O)C1=C(SC=C1)NC(=O)C2=CC=C(S2)[N+](=O)[O-] |
Product Overview
Ethyl (2-(5-nitrothiophene-2-carboxamido)thiophene-3-carbonyl)carbamate (CAS 864941-31-1), with molecular formula C13H11N3O6S2 and molecular weight 369.01 g/mol. IUPAC: ethyl N-[2-[(5-nitrothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate.
Chemical Property Profile of Ethyl (2-(5-nitrothiophene-2-carboxamido)thiophene-3-carbonyl)carbamate
Property Insights of Ethyl (2-(5-nitrothiophene-2-carboxamido)thiophene-3-carbonyl)carbamate
The XLogP value of 2.8564 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2-(5-nitrothiophene-2-carboxamido)thiophene-3-carbonyl)carbamate. The TPSA of 127.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (2-(5-nitrothiophene-2-carboxamido)thiophene-3-carbonyl)carbamate. Following Lipinski's Rule of Five, Ethyl (2-(5-nitrothiophene-2-carboxamido)thiophene-3-carbonyl)carbamate has 2 hydrogen bond donor(s) and 8 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 Ethyl (2-(5-nitrothiophene-2-carboxamido)thiophene-3-carbonyl)carbamate?
The CAS number of Ethyl (2-(5-nitrothiophene-2-carboxamido)thiophene-3-carbonyl)carbamate is 864941-31-1.
What is the molecular formula of Ethyl (2-(5-nitrothiophene-2-carboxamido)thiophene-3-carbonyl)carbamate?
The molecular formula of Ethyl (2-(5-nitrothiophene-2-carboxamido)thiophene-3-carbonyl)carbamate is C13H11N3O6S2.
What is the molecular weight of Ethyl (2-(5-nitrothiophene-2-carboxamido)thiophene-3-carbonyl)carbamate?
The molecular weight of Ethyl (2-(5-nitrothiophene-2-carboxamido)thiophene-3-carbonyl)carbamate is 369.01 g/mol.
Where can I buy Ethyl (2-(5-nitrothiophene-2-carboxamido)thiophene-3-carbonyl)carbamate?
You can request a quote for Ethyl (2-(5-nitrothiophene-2-carboxamido)thiophene-3-carbonyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2-(5-nitrothiophene-2-carboxamido)thiophene-3-carbonyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2-(5-nitrothiophene-2-carboxamido)thiophene-3-carbonyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.