Benzamide, p-isopentoxy-N-(2-pyrrolidinylethyl)thio-
TL;DR: Benzamide, p-isopentoxy-N-(2-pyrrolidinylethyl)thio- (CAS 72004-14-9) is a chemical compound with molecular formula C18H28N2OS and molecular weight 320.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylbutoxy)-N-(2-pyrrolidin-1-ylethyl)benzenecarbothioamide
Also Known As: p-n-[2- ethyl]benzothioamide, p- -N-[2- ethyl]benzothioamide, p-Isopentoxy-N-(2-pyrrolidinylethyl)thiobenzamide, BENZAMIDE, p-ISOPENTOXY-N-(2-PYRROLIDINYLETHYL)THIO-, 4-(3-methylbutoxy)-N-(2-pyrrolidin-1-ylethyl)benzenecarbothioamide
| Molecular Formula | C18H28N2OS |
|---|---|
| Molecular Weight | 320.19 g/mol |
| LogP | 3.4724 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 320.19223 |
| Heavy Atoms | 22 |
| Complexity | 452.65988 |
Chemical Identifiers
| CAS Number | 72004-14-9 |
|---|---|
| SMILES | CC(C)CCOC1=CC=C(C=C1)C(=S)NCCN2CCCC2 |
Product Overview
Benzamide, p-isopentoxy-N-(2-pyrrolidinylethyl)thio- (CAS 72004-14-9), with molecular formula C18H28N2OS and molecular weight 320.19 g/mol. IUPAC: 4-(3-methylbutoxy)-N-(2-pyrrolidin-1-ylethyl)benzenecarbothioamide.
Chemical Property Profile of Benzamide, p-isopentoxy-N-(2-pyrrolidinylethyl)thio-
Property Insights of Benzamide, p-isopentoxy-N-(2-pyrrolidinylethyl)thio-
The XLogP value of 3.4724 indicates that Benzamide, p-isopentoxy-N-(2-pyrrolidinylethyl)thio- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.5 Ų, Benzamide, p-isopentoxy-N-(2-pyrrolidinylethyl)thio- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzamide, p-isopentoxy-N-(2-pyrrolidinylethyl)thio- 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 Benzamide, p-isopentoxy-N-(2-pyrrolidinylethyl)thio-?
The CAS number of Benzamide, p-isopentoxy-N-(2-pyrrolidinylethyl)thio- is 72004-14-9.
What is the molecular formula of Benzamide, p-isopentoxy-N-(2-pyrrolidinylethyl)thio-?
The molecular formula of Benzamide, p-isopentoxy-N-(2-pyrrolidinylethyl)thio- is C18H28N2OS.
What is the molecular weight of Benzamide, p-isopentoxy-N-(2-pyrrolidinylethyl)thio-?
The molecular weight of Benzamide, p-isopentoxy-N-(2-pyrrolidinylethyl)thio- is 320.19 g/mol.
Where can I buy Benzamide, p-isopentoxy-N-(2-pyrrolidinylethyl)thio-?
You can request a quote for Benzamide, p-isopentoxy-N-(2-pyrrolidinylethyl)thio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, p-isopentoxy-N-(2-pyrrolidinylethyl)thio-?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, p-isopentoxy-N-(2-pyrrolidinylethyl)thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.