1-((1-(Phenylsulfonyl)piperidin-4-yl)methyl)-3-tosylurea
TL;DR: 1-((1-(Phenylsulfonyl)piperidin-4-yl)methyl)-3-tosylurea (CAS 686272-33-3) is a chemical compound with molecular formula C20H25N3O5S2 and molecular weight 451.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylurea
Also Known As: 1-((1-(phenylsulfonyl)piperidin-4-yl)methyl)-3-tosylurea, 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylurea, 1-{[1-(benzenesulfonyl)piperidin-4-yl]methyl}-3-(4-methylbenzenesulfonyl)urea, 3-{[1-(benzenesulfonyl)piperidin-4-yl]methyl}-1-[(4-methylbenzene)sulfonyl]urea
| Molecular Formula | C20H25N3O5S2 |
|---|---|
| Molecular Weight | 451.12 g/mol |
| LogP | 2.08382 |
| Topological Polar Surface Area | 112.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.12357 |
| Heavy Atoms | 30 |
| Complexity | 1077.0217 |
Chemical Identifiers
| CAS Number | 686272-33-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC2CCN(CC2)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
1-((1-(Phenylsulfonyl)piperidin-4-yl)methyl)-3-tosylurea (CAS 686272-33-3), with molecular formula C20H25N3O5S2 and molecular weight 451.12 g/mol. IUPAC: 1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(4-methylphenyl)sulfonylurea.
Chemical Property Profile of 1-((1-(Phenylsulfonyl)piperidin-4-yl)methyl)-3-tosylurea
Property Insights of 1-((1-(Phenylsulfonyl)piperidin-4-yl)methyl)-3-tosylurea
The XLogP value of 2.08382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((1-(Phenylsulfonyl)piperidin-4-yl)methyl)-3-tosylurea. The TPSA of 112.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((1-(Phenylsulfonyl)piperidin-4-yl)methyl)-3-tosylurea. Following Lipinski's Rule of Five, 1-((1-(Phenylsulfonyl)piperidin-4-yl)methyl)-3-tosylurea has 2 hydrogen bond donor(s) and 5 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 1-((1-(Phenylsulfonyl)piperidin-4-yl)methyl)-3-tosylurea?
The CAS number of 1-((1-(Phenylsulfonyl)piperidin-4-yl)methyl)-3-tosylurea is 686272-33-3.
What is the molecular formula of 1-((1-(Phenylsulfonyl)piperidin-4-yl)methyl)-3-tosylurea?
The molecular formula of 1-((1-(Phenylsulfonyl)piperidin-4-yl)methyl)-3-tosylurea is C20H25N3O5S2.
What is the molecular weight of 1-((1-(Phenylsulfonyl)piperidin-4-yl)methyl)-3-tosylurea?
The molecular weight of 1-((1-(Phenylsulfonyl)piperidin-4-yl)methyl)-3-tosylurea is 451.12 g/mol.
Where can I buy 1-((1-(Phenylsulfonyl)piperidin-4-yl)methyl)-3-tosylurea?
You can request a quote for 1-((1-(Phenylsulfonyl)piperidin-4-yl)methyl)-3-tosylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((1-(Phenylsulfonyl)piperidin-4-yl)methyl)-3-tosylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-((1-(Phenylsulfonyl)piperidin-4-yl)methyl)-3-tosylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.