4-Acetylamino-benzenethiosulfonic acid S-cyclopentyl ester
TL;DR: 4-Acetylamino-benzenethiosulfonic acid S-cyclopentyl ester (CAS 56436-39-6) is a chemical compound with molecular formula C13H17NO3S2 and molecular weight 299.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-cyclopentylsulfanylsulfonylphenyl)acetamide
Also Known As: N-(4-cyclopentylsulfanylsulfonylphenyl)acetamide, N-{4-[(cyclopentylsulfanyl)sulfonyl]phenyl}acetamide, 4-ACETYLAMINO-BENZENETHIOSULFONIC ACID S-CYCLOPENTYL ESTER
| Molecular Formula | C13H17NO3S2 |
|---|---|
| Molecular Weight | 299.06 g/mol |
| LogP | 3.0095 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.06497 |
| Heavy Atoms | 19 |
| Complexity | 545.756 |
Chemical Identifiers
| CAS Number | 56436-39-6 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)SC2CCCC2 |
Product Overview
4-Acetylamino-benzenethiosulfonic acid S-cyclopentyl ester (CAS 56436-39-6), with molecular formula C13H17NO3S2 and molecular weight 299.06 g/mol. IUPAC: N-(4-cyclopentylsulfanylsulfonylphenyl)acetamide.
Chemical Property Profile of 4-Acetylamino-benzenethiosulfonic acid S-cyclopentyl ester
Property Insights of 4-Acetylamino-benzenethiosulfonic acid S-cyclopentyl ester
The XLogP value of 3.0095 indicates that 4-Acetylamino-benzenethiosulfonic acid S-cyclopentyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetylamino-benzenethiosulfonic acid S-cyclopentyl ester. Following Lipinski's Rule of Five, 4-Acetylamino-benzenethiosulfonic acid S-cyclopentyl ester has 1 hydrogen bond donor(s) and 4 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-Acetylamino-benzenethiosulfonic acid S-cyclopentyl ester?
The CAS number of 4-Acetylamino-benzenethiosulfonic acid S-cyclopentyl ester is 56436-39-6.
What is the molecular formula of 4-Acetylamino-benzenethiosulfonic acid S-cyclopentyl ester?
The molecular formula of 4-Acetylamino-benzenethiosulfonic acid S-cyclopentyl ester is C13H17NO3S2.
What is the molecular weight of 4-Acetylamino-benzenethiosulfonic acid S-cyclopentyl ester?
The molecular weight of 4-Acetylamino-benzenethiosulfonic acid S-cyclopentyl ester is 299.06 g/mol.
Where can I buy 4-Acetylamino-benzenethiosulfonic acid S-cyclopentyl ester?
You can request a quote for 4-Acetylamino-benzenethiosulfonic acid S-cyclopentyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetylamino-benzenethiosulfonic acid S-cyclopentyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetylamino-benzenethiosulfonic acid S-cyclopentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.