Isobutyl 4-(1-pyrrolidinylcarbothioyl)phenyl ether
TL;DR: Isobutyl 4-(1-pyrrolidinylcarbothioyl)phenyl ether (CAS 433314-31-9) is a chemical compound with molecular formula C15H21NOS and molecular weight 263.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-methylpropoxy)phenyl]-pyrrolidin-1-ylmethanethione
Also Known As: isobutyl 4-(1-pyrrolidinylcarbothioyl)phenyl ether, (4-isobutoxyphenyl)-pyrrolidino-methanethione, [4-(2-methylpropoxy)phenyl]-pyrrolidin-1-ylmethanethione, AN-023/40981503, [4-(2-methylpropoxy)phenyl](pyrrolidin-1-yl)methanethione
| Molecular Formula | C15H21NOS |
|---|---|
| Molecular Weight | 263.13 g/mol |
| LogP | 3.4927 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.1344 |
| Heavy Atoms | 18 |
| Complexity | 393.45956 |
Chemical Identifiers
| CAS Number | 433314-31-9 |
|---|---|
| SMILES | CC(C)COC1=CC=C(C=C1)C(=S)N2CCCC2 |
Product Overview
Isobutyl 4-(1-pyrrolidinylcarbothioyl)phenyl ether (CAS 433314-31-9), with molecular formula C15H21NOS and molecular weight 263.13 g/mol. IUPAC: [4-(2-methylpropoxy)phenyl]-pyrrolidin-1-ylmethanethione.
Chemical Property Profile of Isobutyl 4-(1-pyrrolidinylcarbothioyl)phenyl ether
Property Insights of Isobutyl 4-(1-pyrrolidinylcarbothioyl)phenyl ether
The XLogP value of 3.4927 indicates that Isobutyl 4-(1-pyrrolidinylcarbothioyl)phenyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.47 Ų, Isobutyl 4-(1-pyrrolidinylcarbothioyl)phenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 4-(1-pyrrolidinylcarbothioyl)phenyl ether has 0 hydrogen bond donor(s) and 2 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 Isobutyl 4-(1-pyrrolidinylcarbothioyl)phenyl ether?
The CAS number of Isobutyl 4-(1-pyrrolidinylcarbothioyl)phenyl ether is 433314-31-9.
What is the molecular formula of Isobutyl 4-(1-pyrrolidinylcarbothioyl)phenyl ether?
The molecular formula of Isobutyl 4-(1-pyrrolidinylcarbothioyl)phenyl ether is C15H21NOS.
What is the molecular weight of Isobutyl 4-(1-pyrrolidinylcarbothioyl)phenyl ether?
The molecular weight of Isobutyl 4-(1-pyrrolidinylcarbothioyl)phenyl ether is 263.13 g/mol.
Where can I buy Isobutyl 4-(1-pyrrolidinylcarbothioyl)phenyl ether?
You can request a quote for Isobutyl 4-(1-pyrrolidinylcarbothioyl)phenyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 4-(1-pyrrolidinylcarbothioyl)phenyl ether?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 4-(1-pyrrolidinylcarbothioyl)phenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.