1-(Phenylsulfonyl)-4,4-piperidinedicarboxylic acid
TL;DR: 1-(Phenylsulfonyl)-4,4-piperidinedicarboxylic acid (CAS 225517-21-5) is a chemical compound with molecular formula C13H15NO6S and molecular weight 313.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)piperidine-4,4-dicarboxylic acid
Also Known As: NCIStruc1_001418, NCIStruc2_001456, NCI60_041863, 1-(phenylsulfonyl)-4,4-piperidinedicarboxylic acid, 1-(benzenesulfonyl)piperidine-4,4-dicarboxylic acid
| Molecular Formula | C13H15NO6S |
|---|---|
| Molecular Weight | 313.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.062 |
| Heavy Atoms | 21 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 225517-21-5 |
|---|---|
| SMILES | C1CN(CCC1(C(=O)O)C(=O)O)S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | IJLRCNPDSMJGPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Phenylsulfonyl)-4,4-piperidinedicarboxylic acid (CAS 225517-21-5), with molecular formula C13H15NO6S and molecular weight 313.06 g/mol. IUPAC: 1-(benzenesulfonyl)piperidine-4,4-dicarboxylic acid.
Chemical Property Profile of 1-(Phenylsulfonyl)-4,4-piperidinedicarboxylic acid
Property Insights of 1-(Phenylsulfonyl)-4,4-piperidinedicarboxylic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Phenylsulfonyl)-4,4-piperidinedicarboxylic acid. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Phenylsulfonyl)-4,4-piperidinedicarboxylic acid. Following Lipinski's Rule of Five, 1-(Phenylsulfonyl)-4,4-piperidinedicarboxylic acid 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 1-(Phenylsulfonyl)-4,4-piperidinedicarboxylic acid?
The CAS number of 1-(Phenylsulfonyl)-4,4-piperidinedicarboxylic acid is 225517-21-5.
What is the molecular formula of 1-(Phenylsulfonyl)-4,4-piperidinedicarboxylic acid?
The molecular formula of 1-(Phenylsulfonyl)-4,4-piperidinedicarboxylic acid is C13H15NO6S.
What is the molecular weight of 1-(Phenylsulfonyl)-4,4-piperidinedicarboxylic acid?
The molecular weight of 1-(Phenylsulfonyl)-4,4-piperidinedicarboxylic acid is 313.06 g/mol.
Where can I buy 1-(Phenylsulfonyl)-4,4-piperidinedicarboxylic acid?
You can request a quote for 1-(Phenylsulfonyl)-4,4-piperidinedicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Phenylsulfonyl)-4,4-piperidinedicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(Phenylsulfonyl)-4,4-piperidinedicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.