2-(4-Methyl-1,3-dithiolan-2-yl)phenyl dimethylcarbamate
TL;DR: 2-(4-Methyl-1,3-dithiolan-2-yl)phenyl dimethylcarbamate (CAS 25303-00-8) is a chemical compound with molecular formula C13H17NO2S2 and molecular weight 283.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methyl-1,3-dithiolan-2-yl)phenyl] N,N-dimethylcarbamate
Also Known As: 2-(4-methyl-1,3-dithiolan-2-yl)phenyl dimethylcarbamate, o-(4-Methyl-1,3-dithiolan-2-yl)phenyl dimethylcarbamate, n-benzoyl-n-(3,4-dichlorophenyl)-dl-alanine, Carbamic acid, dimethyl-, O-(4-methyl-1,3-dithiolan-2-yl)phenyl ester, [2-(4-methyl-1,3-dithiolan-2-yl)phenyl] N,N-dimethylcarbamate
| Molecular Formula | C13H17NO2S2 |
|---|---|
| Molecular Weight | 283.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 80.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.07007 |
| Heavy Atoms | 18 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 25303-00-8 |
|---|---|
| SMILES | CC1CSC(S1)C2=CC=CC=C2OC(=O)N(C)C |
| InChIKey | SKUDHUFZLCESCE-UHFFFAOYSA-N |
Product Overview
2-(4-Methyl-1,3-dithiolan-2-yl)phenyl dimethylcarbamate (CAS 25303-00-8), with molecular formula C13H17NO2S2 and molecular weight 283.07 g/mol. IUPAC: [2-(4-methyl-1,3-dithiolan-2-yl)phenyl] N,N-dimethylcarbamate.
Chemical Property Profile of 2-(4-Methyl-1,3-dithiolan-2-yl)phenyl dimethylcarbamate
Property Insights of 2-(4-Methyl-1,3-dithiolan-2-yl)phenyl dimethylcarbamate
The XLogP value of 3.1 indicates that 2-(4-Methyl-1,3-dithiolan-2-yl)phenyl dimethylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methyl-1,3-dithiolan-2-yl)phenyl dimethylcarbamate. Following Lipinski's Rule of Five, 2-(4-Methyl-1,3-dithiolan-2-yl)phenyl dimethylcarbamate has 0 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 2-(4-Methyl-1,3-dithiolan-2-yl)phenyl dimethylcarbamate?
The CAS number of 2-(4-Methyl-1,3-dithiolan-2-yl)phenyl dimethylcarbamate is 25303-00-8.
What is the molecular formula of 2-(4-Methyl-1,3-dithiolan-2-yl)phenyl dimethylcarbamate?
The molecular formula of 2-(4-Methyl-1,3-dithiolan-2-yl)phenyl dimethylcarbamate is C13H17NO2S2.
What is the molecular weight of 2-(4-Methyl-1,3-dithiolan-2-yl)phenyl dimethylcarbamate?
The molecular weight of 2-(4-Methyl-1,3-dithiolan-2-yl)phenyl dimethylcarbamate is 283.07 g/mol.
Where can I buy 2-(4-Methyl-1,3-dithiolan-2-yl)phenyl dimethylcarbamate?
You can request a quote for 2-(4-Methyl-1,3-dithiolan-2-yl)phenyl dimethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methyl-1,3-dithiolan-2-yl)phenyl dimethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methyl-1,3-dithiolan-2-yl)phenyl dimethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.