2-Ethoxy-4-(1-pyrrolidinylcarbothioyl)phenol
TL;DR: 2-Ethoxy-4-(1-pyrrolidinylcarbothioyl)phenol (CAS 444150-37-2) is a chemical compound with molecular formula C13H17NO2S and molecular weight 251.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-ethoxy-4-hydroxyphenyl)-pyrrolidin-1-ylmethanethione
Also Known As: 2-ETHOXY-4-(PYRROLIDINE-1-CARBOTHIOYL)PHENOL, 2-ethoxy-4-(1-pyrrolidinylcarbothioyl)phenol, 2-ethoxy-4-(pyrrolidin-1-ylcarbonothioyl)phenol, (3-ethoxy-4-hydroxyphenyl)(1-pyrrolidinyl)methanethione, (3-ethoxy-4-hydroxyphenyl)-pyrrolidin-1-ylmethanethione
| Molecular Formula | C13H17NO2S |
|---|---|
| Molecular Weight | 251.10 g/mol |
| LogP | 2.5622 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.098 |
| Heavy Atoms | 17 |
| Complexity | 413.88052 |
Chemical Identifiers
| CAS Number | 444150-37-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C(=S)N2CCCC2)O |
Product Overview
2-Ethoxy-4-(1-pyrrolidinylcarbothioyl)phenol (CAS 444150-37-2), with molecular formula C13H17NO2S and molecular weight 251.10 g/mol. IUPAC: (3-ethoxy-4-hydroxyphenyl)-pyrrolidin-1-ylmethanethione.
Chemical Property Profile of 2-Ethoxy-4-(1-pyrrolidinylcarbothioyl)phenol
Property Insights of 2-Ethoxy-4-(1-pyrrolidinylcarbothioyl)phenol
The XLogP value of 2.5622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethoxy-4-(1-pyrrolidinylcarbothioyl)phenol. With a topological polar surface area (TPSA) of 32.7 Ų, 2-Ethoxy-4-(1-pyrrolidinylcarbothioyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethoxy-4-(1-pyrrolidinylcarbothioyl)phenol 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-Ethoxy-4-(1-pyrrolidinylcarbothioyl)phenol?
The CAS number of 2-Ethoxy-4-(1-pyrrolidinylcarbothioyl)phenol is 444150-37-2.
What is the molecular formula of 2-Ethoxy-4-(1-pyrrolidinylcarbothioyl)phenol?
The molecular formula of 2-Ethoxy-4-(1-pyrrolidinylcarbothioyl)phenol is C13H17NO2S.
What is the molecular weight of 2-Ethoxy-4-(1-pyrrolidinylcarbothioyl)phenol?
The molecular weight of 2-Ethoxy-4-(1-pyrrolidinylcarbothioyl)phenol is 251.10 g/mol.
Where can I buy 2-Ethoxy-4-(1-pyrrolidinylcarbothioyl)phenol?
You can request a quote for 2-Ethoxy-4-(1-pyrrolidinylcarbothioyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethoxy-4-(1-pyrrolidinylcarbothioyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxy-4-(1-pyrrolidinylcarbothioyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.