S-ethyl N-(2,2-dimethyl-3-phenylpropyl)-N-propylcarbamothioate
TL;DR: S-ethyl N-(2,2-dimethyl-3-phenylpropyl)-N-propylcarbamothioate (CAS 13092-79-0) is a chemical compound with molecular formula C17H27NOS and molecular weight 293.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl N-(2,2-dimethyl-3-phenylpropyl)-N-propylcarbamothioate
Also Known As: S-ethyl N-(2,2-dimethyl-3-phenylpropyl)-N-propylcarbamothioate, s-ethyl(2,2-dimethyl-3-phenylpropyl)propylcarbamothioate, S-Ethyl (2,2-dimethyl-3-phenylpropyl)propylcarbamothioate, S-Ethyl (2,2-dimethyl-3-phenylpropyl)(propyl)carbamothioate, N-(2,2-dimethyl-3-phenyl-propyl)-1-ethylsulfanyl-N-propyl-formamide
| Molecular Formula | C17H27NOS |
|---|---|
| Molecular Weight | 293.18 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 293.18134 |
| Heavy Atoms | 20 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 13092-79-0 |
|---|---|
| SMILES | CCCN(CC(C)(C)CC1=CC=CC=C1)C(=O)SCC |
| InChIKey | BTHMLVRUGUDOMD-UHFFFAOYSA-N |
Product Overview
S-ethyl N-(2,2-dimethyl-3-phenylpropyl)-N-propylcarbamothioate (CAS 13092-79-0), with molecular formula C17H27NOS and molecular weight 293.18 g/mol. IUPAC: S-ethyl N-(2,2-dimethyl-3-phenylpropyl)-N-propylcarbamothioate.
Chemical Property Profile of S-ethyl N-(2,2-dimethyl-3-phenylpropyl)-N-propylcarbamothioate
Property Insights of S-ethyl N-(2,2-dimethyl-3-phenylpropyl)-N-propylcarbamothioate
The XLogP value of 5.1 indicates that S-ethyl N-(2,2-dimethyl-3-phenylpropyl)-N-propylcarbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, S-ethyl N-(2,2-dimethyl-3-phenylpropyl)-N-propylcarbamothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-ethyl N-(2,2-dimethyl-3-phenylpropyl)-N-propylcarbamothioate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-ethyl N-(2,2-dimethyl-3-phenylpropyl)-N-propylcarbamothioate?
The CAS number of S-ethyl N-(2,2-dimethyl-3-phenylpropyl)-N-propylcarbamothioate is 13092-79-0.
What is the molecular formula of S-ethyl N-(2,2-dimethyl-3-phenylpropyl)-N-propylcarbamothioate?
The molecular formula of S-ethyl N-(2,2-dimethyl-3-phenylpropyl)-N-propylcarbamothioate is C17H27NOS.
What is the molecular weight of S-ethyl N-(2,2-dimethyl-3-phenylpropyl)-N-propylcarbamothioate?
The molecular weight of S-ethyl N-(2,2-dimethyl-3-phenylpropyl)-N-propylcarbamothioate is 293.18 g/mol.
Where can I buy S-ethyl N-(2,2-dimethyl-3-phenylpropyl)-N-propylcarbamothioate?
You can request a quote for S-ethyl N-(2,2-dimethyl-3-phenylpropyl)-N-propylcarbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-ethyl N-(2,2-dimethyl-3-phenylpropyl)-N-propylcarbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-ethyl N-(2,2-dimethyl-3-phenylpropyl)-N-propylcarbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.