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Methyl 4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)amino]benzoate
TL;DR: Methyl 4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)amino]benzoate (CAS 7066-04-8) is a chemical compound with molecular formula C17H19N3O4S and molecular weight 361.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]benzoate
Also Known As: Methyl 4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)amino]benzoate, Methyl 4-{[5-(pyrrolidine-1-sulfonyl)pyridin-2-yl]amino}benzoate
| Molecular Formula | C17H19N3O4S |
|---|---|
| Molecular Weight | 361.11 g/mol |
| LogP | 2.3963 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.10962 |
| Heavy Atoms | 25 |
| Complexity | 842.4666 |
Chemical Identifiers
| CAS Number | 7066-04-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC2=NC=C(C=C2)S(=O)(=O)N3CCCC3 |
Product Overview
Methyl 4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)amino]benzoate (CAS 7066-04-8), with molecular formula C17H19N3O4S and molecular weight 361.11 g/mol. IUPAC: methyl 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]benzoate.
Chemical Property Profile of Methyl 4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)amino]benzoate
Property Insights of Methyl 4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)amino]benzoate
The XLogP value of 2.3963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)amino]benzoate. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)amino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)amino]benzoate has 1 hydrogen bond donor(s) and 6 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-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)amino]benzoate?
The CAS number of Methyl 4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)amino]benzoate is 7066-04-8.
What is the molecular formula of Methyl 4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)amino]benzoate?
The molecular formula of Methyl 4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)amino]benzoate is C17H19N3O4S.
What is the molecular weight of Methyl 4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)amino]benzoate?
The molecular weight of Methyl 4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)amino]benzoate is 361.11 g/mol.
Where can I buy Methyl 4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)amino]benzoate?
You can request a quote for Methyl 4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.