methyl 4-(aminocarbonyl)-5-({3-nitrobenzoyl}amino)-3-methyl-2-thiophenecarboxylate
TL;DR: methyl 4-(aminocarbonyl)-5-({3-nitrobenzoyl}amino)-3-methyl-2-thiophenecarboxylate (CAS 353471-91-7) is a chemical compound with molecular formula C15H13N3O6S and molecular weight 363.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate
Also Known As: methyl 4-(aminocarbonyl)-5-({3-nitrobenzoyl}amino)-3-methyl-2-thiophenecarboxylate, methyl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate, methyl 4-carbamoyl-3-methyl-5-(3-nitrobenzamido)thiophene-2-carboxylate, METHYL 4-(AMINOCARBONYL)-3-METHYL-5-[(3-NITROBENZOYL)AMINO]-2-THIOPHENECARBOXYLATE, methyl 4-carbamoyl-3-methyl-5-{[(3-nitrophenyl)carbonyl]amino}thiophene-2-carboxylate
| Molecular Formula | C15H13N3O6S |
|---|---|
| Molecular Weight | 363.05 g/mol |
| LogP | 2.10252 |
| Topological Polar Surface Area | 141.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.05252 |
| Heavy Atoms | 25 |
| Complexity | 889.387 |
Chemical Identifiers
| CAS Number | 353471-91-7 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC |
Product Overview
methyl 4-(aminocarbonyl)-5-({3-nitrobenzoyl}amino)-3-methyl-2-thiophenecarboxylate (CAS 353471-91-7), with molecular formula C15H13N3O6S and molecular weight 363.05 g/mol. IUPAC: methyl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate.
Chemical Property Profile of methyl 4-(aminocarbonyl)-5-({3-nitrobenzoyl}amino)-3-methyl-2-thiophenecarboxylate
Property Insights of methyl 4-(aminocarbonyl)-5-({3-nitrobenzoyl}amino)-3-methyl-2-thiophenecarboxylate
The XLogP value of 2.10252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(aminocarbonyl)-5-({3-nitrobenzoyl}amino)-3-methyl-2-thiophenecarboxylate. The TPSA of 141.63 Ų indicates high polarity, suggesting methyl 4-(aminocarbonyl)-5-({3-nitrobenzoyl}amino)-3-methyl-2-thiophenecarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 4-(aminocarbonyl)-5-({3-nitrobenzoyl}amino)-3-methyl-2-thiophenecarboxylate has 2 hydrogen bond donor(s) and 7 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 methyl 4-(aminocarbonyl)-5-({3-nitrobenzoyl}amino)-3-methyl-2-thiophenecarboxylate?
The CAS number of methyl 4-(aminocarbonyl)-5-({3-nitrobenzoyl}amino)-3-methyl-2-thiophenecarboxylate is 353471-91-7.
What is the molecular formula of methyl 4-(aminocarbonyl)-5-({3-nitrobenzoyl}amino)-3-methyl-2-thiophenecarboxylate?
The molecular formula of methyl 4-(aminocarbonyl)-5-({3-nitrobenzoyl}amino)-3-methyl-2-thiophenecarboxylate is C15H13N3O6S.
What is the molecular weight of methyl 4-(aminocarbonyl)-5-({3-nitrobenzoyl}amino)-3-methyl-2-thiophenecarboxylate?
The molecular weight of methyl 4-(aminocarbonyl)-5-({3-nitrobenzoyl}amino)-3-methyl-2-thiophenecarboxylate is 363.05 g/mol.
Where can I buy methyl 4-(aminocarbonyl)-5-({3-nitrobenzoyl}amino)-3-methyl-2-thiophenecarboxylate?
You can request a quote for methyl 4-(aminocarbonyl)-5-({3-nitrobenzoyl}amino)-3-methyl-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(aminocarbonyl)-5-({3-nitrobenzoyl}amino)-3-methyl-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(aminocarbonyl)-5-({3-nitrobenzoyl}amino)-3-methyl-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.