2-(Dimethylcarbamoyl)phenyl benzylcarbamodithioate
TL;DR: 2-(Dimethylcarbamoyl)phenyl benzylcarbamodithioate (CAS 87590-82-7) is a chemical compound with molecular formula C17H18N2OS2 and molecular weight 330.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(dimethylcarbamoyl)phenyl] N-benzylcarbamodithioate
Also Known As: 2-(Dimethylcarbamoyl)phenyl benzylcarbamodithioate, [2-(dimethylcarbamoyl)phenyl] N-benzylcarbamodithioate, 2-(benzylthiocarbamoylsulfanyl)-N,N-dimethyl-benzamide
| Molecular Formula | C17H18N2OS2 |
|---|---|
| Molecular Weight | 330.09 g/mol |
| LogP | 3.5552 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.08606 |
| Heavy Atoms | 22 |
| Complexity | 656.7183 |
Chemical Identifiers
| CAS Number | 87590-82-7 |
|---|---|
| SMILES | CN(C)C(=O)C1=CC=CC=C1SC(=S)NCC2=CC=CC=C2 |
Product Overview
2-(Dimethylcarbamoyl)phenyl benzylcarbamodithioate (CAS 87590-82-7), with molecular formula C17H18N2OS2 and molecular weight 330.09 g/mol. IUPAC: [2-(dimethylcarbamoyl)phenyl] N-benzylcarbamodithioate.
Chemical Property Profile of 2-(Dimethylcarbamoyl)phenyl benzylcarbamodithioate
Property Insights of 2-(Dimethylcarbamoyl)phenyl benzylcarbamodithioate
The XLogP value of 3.5552 indicates that 2-(Dimethylcarbamoyl)phenyl benzylcarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, 2-(Dimethylcarbamoyl)phenyl benzylcarbamodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Dimethylcarbamoyl)phenyl benzylcarbamodithioate has 1 hydrogen bond donor(s) and 3 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-(Dimethylcarbamoyl)phenyl benzylcarbamodithioate?
The CAS number of 2-(Dimethylcarbamoyl)phenyl benzylcarbamodithioate is 87590-82-7.
What is the molecular formula of 2-(Dimethylcarbamoyl)phenyl benzylcarbamodithioate?
The molecular formula of 2-(Dimethylcarbamoyl)phenyl benzylcarbamodithioate is C17H18N2OS2.
What is the molecular weight of 2-(Dimethylcarbamoyl)phenyl benzylcarbamodithioate?
The molecular weight of 2-(Dimethylcarbamoyl)phenyl benzylcarbamodithioate is 330.09 g/mol.
Where can I buy 2-(Dimethylcarbamoyl)phenyl benzylcarbamodithioate?
You can request a quote for 2-(Dimethylcarbamoyl)phenyl benzylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dimethylcarbamoyl)phenyl benzylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dimethylcarbamoyl)phenyl benzylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.