![methyl 5-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate structure](/static/products/4450/445006-27-9.webp)
methyl 5-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate
TL;DR: methyl 5-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate (CAS 445006-27-9) is a chemical compound with molecular formula C15H12ClN3O6S and molecular weight 397.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate
Also Known As: methyl 5-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate, methyl 5-(aminocarbonyl)-2-({2-chloro-5-nitrobenzoyl}amino)-4-methylthiophene-3-carboxylate, methyl 5-carbamoyl-2-[(2-chloro-5-nitrophenyl)carbonylamino]-4-methylthiophene -3-carboxylate, methyl 5-carbamoyl-2-{[(2-chloro-5-nitrophenyl)carbonyl]amino}-4-methylthiophene-3-carboxylate
| Molecular Formula | C15H12ClN3O6S |
|---|---|
| Molecular Weight | 397.01 g/mol |
| LogP | 2.75592 |
| Topological Polar Surface Area | 141.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.01352 |
| Heavy Atoms | 26 |
| Complexity | 939.7032 |
Chemical Identifiers
| CAS Number | 445006-27-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C(=O)N |
Product Overview
methyl 5-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate (CAS 445006-27-9), with molecular formula C15H12ClN3O6S and molecular weight 397.01 g/mol. IUPAC: methyl 5-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of methyl 5-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate
Property Insights of methyl 5-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate
The XLogP value of 2.75592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate. The TPSA of 141.63 Ų indicates high polarity, suggesting methyl 5-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 5-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylthiophene-3-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 methyl 5-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate?
The CAS number of methyl 5-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate is 445006-27-9.
What is the molecular formula of methyl 5-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate?
The molecular formula of methyl 5-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate is C15H12ClN3O6S.
What is the molecular weight of methyl 5-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate?
The molecular weight of methyl 5-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate is 397.01 g/mol.
Where can I buy methyl 5-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate?
You can request a quote for methyl 5-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-carbamoyl-2-[(2-chloro-5-nitrobenzoyl)amino]-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.