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Methyl 4-[(1-butylpyrrolidin-2-ylidene)amino]sulfonylbenzoate
TL;DR: Methyl 4-[(1-butylpyrrolidin-2-ylidene)amino]sulfonylbenzoate (CAS 126826-60-6) is a chemical compound with molecular formula C16H22N2O4S and molecular weight 338.13004 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[(1-butylpyrrolidin-2-ylidene)amino]sulfonylbenzoate
Also Known As: Benzoic acid,4-[[(1-butyl-2-pyrrolidinylidene)amino]sulfonyl]-, methyl ester, Methyl 4-(((1-butyl-2-pyrrolidinylidene)amino)sulfonyl)benzoate, METHYL 4-[(1-BUTYLPYRROLIDIN-2-YLIDENE)AMINO]SULFONYLBENZOATE, Benzoic acid, 4-(((1-butyl-2-pyrrolidinylidene)amino)sulfonyl)-, methyl ester
Technical Specifications
| Molecular Formula | C16H22N2O4S |
| Molecular Weight | 338.13004 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 84.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.13004 Da |
| Heavy Atoms | 23 |
| Complexity | 531.0 |
| SMILES | CCCCN1CCCC1=NS(=O)(=O)C2=CC=C(C=C2)C(=O)OC |
| InChIKey | BHRCXEJEISUWAX-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-[(1-butylpyrrolidin-2-ylidene)amino]sulfonylbenzoate
Property Insights of Methyl 4-[(1-butylpyrrolidin-2-ylidene)amino]sulfonylbenzoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[(1-butylpyrrolidin-2-ylidene)amino]sulfonylbenzoate. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(1-butylpyrrolidin-2-ylidene)amino]sulfonylbenzoate. Following Lipinski's Rule of Five, Methyl 4-[(1-butylpyrrolidin-2-ylidene)amino]sulfonylbenzoate has 0 hydrogen bond donor(s) and 5 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 4-[(1-butylpyrrolidin-2-ylidene)amino]sulfonylbenzoate?
The CAS number of Methyl 4-[(1-butylpyrrolidin-2-ylidene)amino]sulfonylbenzoate is 126826-60-6.
What is the molecular formula of Methyl 4-[(1-butylpyrrolidin-2-ylidene)amino]sulfonylbenzoate?
The molecular formula of Methyl 4-[(1-butylpyrrolidin-2-ylidene)amino]sulfonylbenzoate is C16H22N2O4S.
What is the molecular weight of Methyl 4-[(1-butylpyrrolidin-2-ylidene)amino]sulfonylbenzoate?
The molecular weight of Methyl 4-[(1-butylpyrrolidin-2-ylidene)amino]sulfonylbenzoate is 338.13004 g/mol.
Where can I buy Methyl 4-[(1-butylpyrrolidin-2-ylidene)amino]sulfonylbenzoate?
You can request a quote for Methyl 4-[(1-butylpyrrolidin-2-ylidene)amino]sulfonylbenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-[(1-butylpyrrolidin-2-ylidene)amino]sulfonylbenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-[(1-butylpyrrolidin-2-ylidene)amino]sulfonylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.