Ethyl 2-(4-(morpholinosulfonyl)benzamido)-5-nitrothiophene-3-carboxylate
TL;DR: Ethyl 2-(4-(morpholinosulfonyl)benzamido)-5-nitrothiophene-3-carboxylate (CAS 477490-97-4) is a chemical compound with molecular formula C18H19N3O8S2 and molecular weight 469.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5-nitrothiophene-3-carboxylate
Also Known As: ETHYL 2-[4-(MORPHOLINE-4-SULFONYL)BENZAMIDO]-5-NITROTHIOPHENE-3-CARBOXYLATE, F0806-0122, ethyl 2-(4-(morpholinosulfonyl)benzamido)-5-nitrothiophene-3-carboxylate, ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5-nitrothiophene-3-carboxylate, Ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5-nitro-thiophene-3-carboxylate
| Molecular Formula | C18H19N3O8S2 |
|---|---|
| Molecular Weight | 469.06 g/mol |
| LogP | 2.1062 |
| Topological Polar Surface Area | 145.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.06137 |
| Heavy Atoms | 31 |
| Complexity | 1089.5082 |
Chemical Identifiers
| CAS Number | 477490-97-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3 |
Product Overview
Ethyl 2-(4-(morpholinosulfonyl)benzamido)-5-nitrothiophene-3-carboxylate (CAS 477490-97-4), with molecular formula C18H19N3O8S2 and molecular weight 469.06 g/mol. IUPAC: ethyl 2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5-nitrothiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-(4-(morpholinosulfonyl)benzamido)-5-nitrothiophene-3-carboxylate
Property Insights of Ethyl 2-(4-(morpholinosulfonyl)benzamido)-5-nitrothiophene-3-carboxylate
The XLogP value of 2.1062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-(morpholinosulfonyl)benzamido)-5-nitrothiophene-3-carboxylate. The TPSA of 145.15 Ų indicates high polarity, suggesting Ethyl 2-(4-(morpholinosulfonyl)benzamido)-5-nitrothiophene-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 2-(4-(morpholinosulfonyl)benzamido)-5-nitrothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 9 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-(4-(morpholinosulfonyl)benzamido)-5-nitrothiophene-3-carboxylate?
The CAS number of Ethyl 2-(4-(morpholinosulfonyl)benzamido)-5-nitrothiophene-3-carboxylate is 477490-97-4.
What is the molecular formula of Ethyl 2-(4-(morpholinosulfonyl)benzamido)-5-nitrothiophene-3-carboxylate?
The molecular formula of Ethyl 2-(4-(morpholinosulfonyl)benzamido)-5-nitrothiophene-3-carboxylate is C18H19N3O8S2.
What is the molecular weight of Ethyl 2-(4-(morpholinosulfonyl)benzamido)-5-nitrothiophene-3-carboxylate?
The molecular weight of Ethyl 2-(4-(morpholinosulfonyl)benzamido)-5-nitrothiophene-3-carboxylate is 469.06 g/mol.
Where can I buy Ethyl 2-(4-(morpholinosulfonyl)benzamido)-5-nitrothiophene-3-carboxylate?
You can request a quote for Ethyl 2-(4-(morpholinosulfonyl)benzamido)-5-nitrothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(4-(morpholinosulfonyl)benzamido)-5-nitrothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-(morpholinosulfonyl)benzamido)-5-nitrothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.