Methyl 2-(furan-2-carbonylcarbamothioylamino)-4,5-dimethoxybenzoate
TL;DR: Methyl 2-(furan-2-carbonylcarbamothioylamino)-4,5-dimethoxybenzoate (CAS 500144-86-5) is a chemical compound with molecular formula C16H16N2O6S and molecular weight 364.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(furan-2-carbonylcarbamothioylamino)-4,5-dimethoxybenzoate
Also Known As: methyl 2-(3-(furan-2-carbonyl)thioureido)-4,5-dimethoxybenzoate, methyl 2-(furan-2-carbonylcarbamothioylamino)-4,5-dimethoxybenzoate, methyl 2-{[(furan-2-ylcarbonyl)carbamothioyl]amino}-4,5-dimethoxybenzoate, 2-(2-furoylthiocarbamoylamino)-4,5-dimethoxy-benzoic acid methyl ester, methyl 2-(furan-2-ylcarbonylcarbamothioylamino)-4,5-dimethoxy-benzoate
| Molecular Formula | C16H16N2O6S |
|---|---|
| Molecular Weight | 364.07 g/mol |
| LogP | 2.2102 |
| Topological Polar Surface Area | 99.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.0729 |
| Heavy Atoms | 25 |
| Complexity | 788.17267 |
Chemical Identifiers
| CAS Number | 500144-86-5 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)NC(=O)C2=CC=CO2)OC |
Product Overview
Methyl 2-(furan-2-carbonylcarbamothioylamino)-4,5-dimethoxybenzoate (CAS 500144-86-5), with molecular formula C16H16N2O6S and molecular weight 364.07 g/mol. IUPAC: methyl 2-(furan-2-carbonylcarbamothioylamino)-4,5-dimethoxybenzoate.
Chemical Property Profile of Methyl 2-(furan-2-carbonylcarbamothioylamino)-4,5-dimethoxybenzoate
Property Insights of Methyl 2-(furan-2-carbonylcarbamothioylamino)-4,5-dimethoxybenzoate
The XLogP value of 2.2102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(furan-2-carbonylcarbamothioylamino)-4,5-dimethoxybenzoate. The TPSA of 99.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(furan-2-carbonylcarbamothioylamino)-4,5-dimethoxybenzoate. Following Lipinski's Rule of Five, Methyl 2-(furan-2-carbonylcarbamothioylamino)-4,5-dimethoxybenzoate has 2 hydrogen bond donor(s) and 7 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 Methyl 2-(furan-2-carbonylcarbamothioylamino)-4,5-dimethoxybenzoate?
The CAS number of Methyl 2-(furan-2-carbonylcarbamothioylamino)-4,5-dimethoxybenzoate is 500144-86-5.
What is the molecular formula of Methyl 2-(furan-2-carbonylcarbamothioylamino)-4,5-dimethoxybenzoate?
The molecular formula of Methyl 2-(furan-2-carbonylcarbamothioylamino)-4,5-dimethoxybenzoate is C16H16N2O6S.
What is the molecular weight of Methyl 2-(furan-2-carbonylcarbamothioylamino)-4,5-dimethoxybenzoate?
The molecular weight of Methyl 2-(furan-2-carbonylcarbamothioylamino)-4,5-dimethoxybenzoate is 364.07 g/mol.
Where can I buy Methyl 2-(furan-2-carbonylcarbamothioylamino)-4,5-dimethoxybenzoate?
You can request a quote for Methyl 2-(furan-2-carbonylcarbamothioylamino)-4,5-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(furan-2-carbonylcarbamothioylamino)-4,5-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(furan-2-carbonylcarbamothioylamino)-4,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.