4-(Pyrrolidin-1-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate
TL;DR: 4-(Pyrrolidin-1-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate (CAS 443671-67-8) is a chemical compound with molecular formula C20H21NO4S and molecular weight 371.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(pyrrolidine-1-carbothioyl)phenyl] 3,4-dimethoxybenzoate
Also Known As: 4-(pyrrolidin-1-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate, 4-(1-pyrrolidinylcarbonothioyl)phenyl 3,4-dimethoxybenzoate, 4-(pyrrolidine-1-carbonothioyl)phenyl 3,4-dimethoxybenzoate, [4-(pyrrolidine-1-carbothioyl)phenyl] 3,4-dimethoxybenzoate
| Molecular Formula | C20H21NO4S |
|---|---|
| Molecular Weight | 371.12 g/mol |
| LogP | 3.6943 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.11914 |
| Heavy Atoms | 26 |
| Complexity | 797.9585 |
Chemical Identifiers
| CAS Number | 443671-67-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=S)N3CCCC3)OC |
Product Overview
4-(Pyrrolidin-1-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate (CAS 443671-67-8), with molecular formula C20H21NO4S and molecular weight 371.12 g/mol. IUPAC: [4-(pyrrolidine-1-carbothioyl)phenyl] 3,4-dimethoxybenzoate.
Chemical Property Profile of 4-(Pyrrolidin-1-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate
Property Insights of 4-(Pyrrolidin-1-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate
The XLogP value of 3.6943 indicates that 4-(Pyrrolidin-1-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, 4-(Pyrrolidin-1-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Pyrrolidin-1-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate has 0 hydrogen bond donor(s) and 5 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 4-(Pyrrolidin-1-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate?
The CAS number of 4-(Pyrrolidin-1-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate is 443671-67-8.
What is the molecular formula of 4-(Pyrrolidin-1-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate?
The molecular formula of 4-(Pyrrolidin-1-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate is C20H21NO4S.
What is the molecular weight of 4-(Pyrrolidin-1-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate?
The molecular weight of 4-(Pyrrolidin-1-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate is 371.12 g/mol.
Where can I buy 4-(Pyrrolidin-1-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate?
You can request a quote for 4-(Pyrrolidin-1-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Pyrrolidin-1-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Pyrrolidin-1-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.