![methyl 3-nitro-5-{N-[4-(pyrrolidinylsulfonyl)phenyl]carbamoyl}benzoate structure](/static/products/5903/590398-99-5.webp)
methyl 3-nitro-5-{N-[4-(pyrrolidinylsulfonyl)phenyl]carbamoyl}benzoate
TL;DR: methyl 3-nitro-5-{N-[4-(pyrrolidinylsulfonyl)phenyl]carbamoyl}benzoate (CAS 590398-99-5) is a chemical compound with molecular formula C19H19N3O7S and molecular weight 433.09436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-nitro-5-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]benzoate
Also Known As: methyl 3-nitro-5-((4-(pyrrolidin-1-ylsulfonyl)phenyl)carbamoyl)benzoate, methyl 3-nitro-5-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]benzoate, methyl 3-nitro-5-{[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamoyl}benzoate, methyl 3-nitro-5-{N-[4-(pyrrolidinylsulfonyl)phenyl]carbamoyl}benzoate, METHYL 3-NITRO-5-{[4-(1-PYRROLIDINYLSULFONYL)ANILINO]CARBONYL}BENZOATE
Technical Specifications
| Molecular Formula | C19H19N3O7S |
| Molecular Weight | 433.09436 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.09436 Da |
| Heavy Atoms | 30 |
| Complexity | 747.0 |
| SMILES | COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-] |
| InChIKey | QNACUYCWWJATSS-UHFFFAOYSA-N |
Chemical Property Profile of methyl 3-nitro-5-{N-[4-(pyrrolidinylsulfonyl)phenyl]carbamoyl}benzoate
Property Insights of methyl 3-nitro-5-{N-[4-(pyrrolidinylsulfonyl)phenyl]carbamoyl}benzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-nitro-5-{N-[4-(pyrrolidinylsulfonyl)phenyl]carbamoyl}benzoate. The TPSA of 147.0 Ų indicates high polarity, suggesting methyl 3-nitro-5-{N-[4-(pyrrolidinylsulfonyl)phenyl]carbamoyl}benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 3-nitro-5-{N-[4-(pyrrolidinylsulfonyl)phenyl]carbamoyl}benzoate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl 3-nitro-5-{N-[4-(pyrrolidinylsulfonyl)phenyl]carbamoyl}benzoate?
The CAS number of methyl 3-nitro-5-{N-[4-(pyrrolidinylsulfonyl)phenyl]carbamoyl}benzoate is 590398-99-5.
What is the molecular formula of methyl 3-nitro-5-{N-[4-(pyrrolidinylsulfonyl)phenyl]carbamoyl}benzoate?
The molecular formula of methyl 3-nitro-5-{N-[4-(pyrrolidinylsulfonyl)phenyl]carbamoyl}benzoate is C19H19N3O7S.
What is the molecular weight of methyl 3-nitro-5-{N-[4-(pyrrolidinylsulfonyl)phenyl]carbamoyl}benzoate?
The molecular weight of methyl 3-nitro-5-{N-[4-(pyrrolidinylsulfonyl)phenyl]carbamoyl}benzoate is 433.09436 g/mol.
Where can I buy methyl 3-nitro-5-{N-[4-(pyrrolidinylsulfonyl)phenyl]carbamoyl}benzoate?
You can request a quote for methyl 3-nitro-5-{N-[4-(pyrrolidinylsulfonyl)phenyl]carbamoyl}benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 3-nitro-5-{N-[4-(pyrrolidinylsulfonyl)phenyl]carbamoyl}benzoate?
Yes, CoreyChem provides custom synthesis services for methyl 3-nitro-5-{N-[4-(pyrrolidinylsulfonyl)phenyl]carbamoyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.