2-Bromo-4-(morpholin-4-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate
TL;DR: 2-Bromo-4-(morpholin-4-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate (CAS 443673-16-3) is a chemical compound with molecular formula C20H20BrNO5S and molecular weight 465.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-bromo-4-(morpholine-4-carbothioyl)phenyl] 3,4-dimethoxybenzoate
Also Known As: [2-bromo-4-(morpholine-4-carbothioyl)phenyl] 3,4-dimethoxybenzoate|2-bromo-4-(morpholin-4-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate|2-bromo-4-(morpholine-4-carbonothioyl)phenyl 3,4-dimethoxybenzoate
| Molecular Formula | C20H20BrNO5S |
|---|---|
| Molecular Weight | 465.02 g/mol |
| LogP | 3.6932 |
| Topological Polar Surface Area | 57.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.02457 |
| Heavy Atoms | 28 |
| Complexity | 882.8949 |
Chemical Identifiers
| CAS Number | 443673-16-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=S)N3CCOCC3)Br)OC |
Product Overview
2-Bromo-4-(morpholin-4-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate (CAS 443673-16-3), with molecular formula C20H20BrNO5S and molecular weight 465.02 g/mol. IUPAC: [2-bromo-4-(morpholine-4-carbothioyl)phenyl] 3,4-dimethoxybenzoate.
Chemical Property Profile of 2-Bromo-4-(morpholin-4-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate
Property Insights of 2-Bromo-4-(morpholin-4-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate
The XLogP value of 3.6932 indicates that 2-Bromo-4-(morpholin-4-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 57.23 Ų, 2-Bromo-4-(morpholin-4-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-(morpholin-4-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate has 0 hydrogen bond donor(s) and 6 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-Bromo-4-(morpholin-4-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate?
The CAS number of 2-Bromo-4-(morpholin-4-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate is 443673-16-3.
What is the molecular formula of 2-Bromo-4-(morpholin-4-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate?
The molecular formula of 2-Bromo-4-(morpholin-4-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate is C20H20BrNO5S.
What is the molecular weight of 2-Bromo-4-(morpholin-4-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate?
The molecular weight of 2-Bromo-4-(morpholin-4-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate is 465.02 g/mol.
Where can I buy 2-Bromo-4-(morpholin-4-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate?
You can request a quote for 2-Bromo-4-(morpholin-4-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 2-Bromo-4-(morpholin-4-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-(morpholin-4-ylcarbonothioyl)phenyl 3,4-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.