4-(1-Piperidinylcarbothioyl)phenyl 4-(acetylamino)benzenesulfonate
TL;DR: 4-(1-Piperidinylcarbothioyl)phenyl 4-(acetylamino)benzenesulfonate (CAS 496844-53-2) is a chemical compound with molecular formula C20H22N2O4S2 and molecular weight 418.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(piperidine-1-carbothioyl)phenyl] 4-acetamidobenzenesulfonate
Also Known As: 4-(1-piperidinylcarbothioyl)phenyl 4-(acetylamino)benzenesulfonate, AN-698/40847906, [4-(piperidine-1-carbothioyl)phenyl] 4-acetamidobenzenesulfonate, 4-(PIPERIDINOCARBOTHIOYL)PHENYL 4-(ACETYLAMINO)-1-BENZENESULFONATE
| Molecular Formula | C20H22N2O4S2 |
|---|---|
| Molecular Weight | 418.10 g/mol |
| LogP | 3.5741 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.1021 |
| Heavy Atoms | 28 |
| Complexity | 948.70514 |
Chemical Identifiers
| CAS Number | 496844-53-2 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(=S)N3CCCCC3 |
Product Overview
4-(1-Piperidinylcarbothioyl)phenyl 4-(acetylamino)benzenesulfonate (CAS 496844-53-2), with molecular formula C20H22N2O4S2 and molecular weight 418.10 g/mol. IUPAC: [4-(piperidine-1-carbothioyl)phenyl] 4-acetamidobenzenesulfonate.
Chemical Property Profile of 4-(1-Piperidinylcarbothioyl)phenyl 4-(acetylamino)benzenesulfonate
Property Insights of 4-(1-Piperidinylcarbothioyl)phenyl 4-(acetylamino)benzenesulfonate
The XLogP value of 3.5741 indicates that 4-(1-Piperidinylcarbothioyl)phenyl 4-(acetylamino)benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-Piperidinylcarbothioyl)phenyl 4-(acetylamino)benzenesulfonate. Following Lipinski's Rule of Five, 4-(1-Piperidinylcarbothioyl)phenyl 4-(acetylamino)benzenesulfonate has 1 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 4-(1-Piperidinylcarbothioyl)phenyl 4-(acetylamino)benzenesulfonate?
The CAS number of 4-(1-Piperidinylcarbothioyl)phenyl 4-(acetylamino)benzenesulfonate is 496844-53-2.
What is the molecular formula of 4-(1-Piperidinylcarbothioyl)phenyl 4-(acetylamino)benzenesulfonate?
The molecular formula of 4-(1-Piperidinylcarbothioyl)phenyl 4-(acetylamino)benzenesulfonate is C20H22N2O4S2.
What is the molecular weight of 4-(1-Piperidinylcarbothioyl)phenyl 4-(acetylamino)benzenesulfonate?
The molecular weight of 4-(1-Piperidinylcarbothioyl)phenyl 4-(acetylamino)benzenesulfonate is 418.10 g/mol.
Where can I buy 4-(1-Piperidinylcarbothioyl)phenyl 4-(acetylamino)benzenesulfonate?
You can request a quote for 4-(1-Piperidinylcarbothioyl)phenyl 4-(acetylamino)benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Piperidinylcarbothioyl)phenyl 4-(acetylamino)benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Piperidinylcarbothioyl)phenyl 4-(acetylamino)benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.