4-Bromo-2-(1-pyrrolidinylcarbonothioyl)phenyl 2-methylbenzoate
TL;DR: 4-Bromo-2-(1-pyrrolidinylcarbonothioyl)phenyl 2-methylbenzoate (CAS 496769-36-9) is a chemical compound with molecular formula C19H18BrNO2S and molecular weight 403.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] 2-methylbenzoate
Also Known As: AN-698/41144757, [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] 2-methylbenzoate, 4-bromo-2-(1-pyrrolidinylcarbonothioyl)phenyl 2-methylbenzoate, 4-bromo-2-(pyrrolidin-1-ylcarbothioyl)phenyl 2-methylbenzoate, 4-bromo-2-(pyrrolidine-1-carbonothioyl)phenyl 2-methylbenzoate
| Molecular Formula | C19H18BrNO2S |
|---|---|
| Molecular Weight | 403.02 g/mol |
| LogP | 4.74802 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.02417 |
| Heavy Atoms | 24 |
| Complexity | 784.6863 |
Chemical Identifiers
| CAS Number | 496769-36-9 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCCC3 |
Product Overview
4-Bromo-2-(1-pyrrolidinylcarbonothioyl)phenyl 2-methylbenzoate (CAS 496769-36-9), with molecular formula C19H18BrNO2S and molecular weight 403.02 g/mol. IUPAC: [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] 2-methylbenzoate.
Chemical Property Profile of 4-Bromo-2-(1-pyrrolidinylcarbonothioyl)phenyl 2-methylbenzoate
Property Insights of 4-Bromo-2-(1-pyrrolidinylcarbonothioyl)phenyl 2-methylbenzoate
The XLogP value of 4.74802 indicates that 4-Bromo-2-(1-pyrrolidinylcarbonothioyl)phenyl 2-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 4-Bromo-2-(1-pyrrolidinylcarbonothioyl)phenyl 2-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-(1-pyrrolidinylcarbonothioyl)phenyl 2-methylbenzoate has 0 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 4-Bromo-2-(1-pyrrolidinylcarbonothioyl)phenyl 2-methylbenzoate?
The CAS number of 4-Bromo-2-(1-pyrrolidinylcarbonothioyl)phenyl 2-methylbenzoate is 496769-36-9.
What is the molecular formula of 4-Bromo-2-(1-pyrrolidinylcarbonothioyl)phenyl 2-methylbenzoate?
The molecular formula of 4-Bromo-2-(1-pyrrolidinylcarbonothioyl)phenyl 2-methylbenzoate is C19H18BrNO2S.
What is the molecular weight of 4-Bromo-2-(1-pyrrolidinylcarbonothioyl)phenyl 2-methylbenzoate?
The molecular weight of 4-Bromo-2-(1-pyrrolidinylcarbonothioyl)phenyl 2-methylbenzoate is 403.02 g/mol.
Where can I buy 4-Bromo-2-(1-pyrrolidinylcarbonothioyl)phenyl 2-methylbenzoate?
You can request a quote for 4-Bromo-2-(1-pyrrolidinylcarbonothioyl)phenyl 2-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2-(1-pyrrolidinylcarbonothioyl)phenyl 2-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-(1-pyrrolidinylcarbonothioyl)phenyl 2-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.