4-(1,3-dithiolan-2-yl)phenyl N-phenylcarbamate
TL;DR: 4-(1,3-dithiolan-2-yl)phenyl N-phenylcarbamate (CAS 329079-32-5) is a chemical compound with molecular formula C16H15NO2S2 and molecular weight 317.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-dithiolan-2-yl)phenyl] N-phenylcarbamate
Also Known As: 4-(1,3-dithiolan-2-yl)phenyl N-phenylcarbamate, [4-(1,3-dithiolan-2-yl)phenyl] N-phenylcarbamate, (4-(1,3-dithiolan-2-yl)phenoxy)-N-benzamide, 4-(1,3-dithiolan-2-yl)phenylN-phenylcarbamate
| Molecular Formula | C16H15NO2S2 |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.0544 |
| Heavy Atoms | 21 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 329079-32-5 |
|---|---|
| SMILES | C1CSC(S1)C2=CC=C(C=C2)OC(=O)NC3=CC=CC=C3 |
| InChIKey | ALCQACOMGJXSDO-UHFFFAOYSA-N |
Product Overview
4-(1,3-dithiolan-2-yl)phenyl N-phenylcarbamate (CAS 329079-32-5), with molecular formula C16H15NO2S2 and molecular weight 317.05 g/mol. IUPAC: [4-(1,3-dithiolan-2-yl)phenyl] N-phenylcarbamate.
Chemical Property Profile of 4-(1,3-dithiolan-2-yl)phenyl N-phenylcarbamate
Property Insights of 4-(1,3-dithiolan-2-yl)phenyl N-phenylcarbamate
The XLogP value of 4.3 indicates that 4-(1,3-dithiolan-2-yl)phenyl N-phenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-dithiolan-2-yl)phenyl N-phenylcarbamate. Following Lipinski's Rule of Five, 4-(1,3-dithiolan-2-yl)phenyl N-phenylcarbamate 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-(1,3-dithiolan-2-yl)phenyl N-phenylcarbamate?
The CAS number of 4-(1,3-dithiolan-2-yl)phenyl N-phenylcarbamate is 329079-32-5.
What is the molecular formula of 4-(1,3-dithiolan-2-yl)phenyl N-phenylcarbamate?
The molecular formula of 4-(1,3-dithiolan-2-yl)phenyl N-phenylcarbamate is C16H15NO2S2.
What is the molecular weight of 4-(1,3-dithiolan-2-yl)phenyl N-phenylcarbamate?
The molecular weight of 4-(1,3-dithiolan-2-yl)phenyl N-phenylcarbamate is 317.05 g/mol.
Where can I buy 4-(1,3-dithiolan-2-yl)phenyl N-phenylcarbamate?
You can request a quote for 4-(1,3-dithiolan-2-yl)phenyl N-phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-dithiolan-2-yl)phenyl N-phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-dithiolan-2-yl)phenyl N-phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.