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propan-2-yl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate
TL;DR: propan-2-yl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate (CAS 424812-50-0) is a chemical compound with molecular formula C17H17N3O6S and molecular weight 391.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate
Also Known As: propan-2-yl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate, methylethyl 4-carbamoyl-3-methyl-5-[(3-nitrophenyl)carbonylamino]thiophene-2-c arboxylate, propan-2-yl 4-carbamoyl-3-methyl-5-{[(3-nitrophenyl)carbonyl]amino}thiophene-2-carboxylate, ISOPROPYL 4-(AMINOCARBONYL)-3-METHYL-5-[(3-NITROBENZOYL)AMINO]-2-THIOPHENECARBOXYLATE
| Molecular Formula | C17H17N3O6S |
|---|---|
| Molecular Weight | 391.08 g/mol |
| LogP | 2.88112 |
| Topological Polar Surface Area | 141.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.0838 |
| Heavy Atoms | 27 |
| Complexity | 934.7451 |
Chemical Identifiers
| CAS Number | 424812-50-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C |
Product Overview
propan-2-yl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate (CAS 424812-50-0), with molecular formula C17H17N3O6S and molecular weight 391.08 g/mol. IUPAC: propan-2-yl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate.
Chemical Property Profile of propan-2-yl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate
Property Insights of propan-2-yl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate
The XLogP value of 2.88112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for propan-2-yl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate. The TPSA of 141.63 Ų indicates high polarity, suggesting propan-2-yl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, propan-2-yl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate 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 propan-2-yl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate?
The CAS number of propan-2-yl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate is 424812-50-0.
What is the molecular formula of propan-2-yl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate?
The molecular formula of propan-2-yl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate is C17H17N3O6S.
What is the molecular weight of propan-2-yl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate?
The molecular weight of propan-2-yl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate is 391.08 g/mol.
Where can I buy propan-2-yl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate?
You can request a quote for propan-2-yl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propan-2-yl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl 4-carbamoyl-3-methyl-5-[(3-nitrobenzoyl)amino]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.