![Methyl 4-{[(2-hydroxyethyl)carbamothioyl]amino}benzoate structure](/static/products/7082/708290-28-2.webp)
Methyl 4-{[(2-hydroxyethyl)carbamothioyl]amino}benzoate
TL;DR: Methyl 4-{[(2-hydroxyethyl)carbamothioyl]amino}benzoate (CAS 708290-28-2) is a chemical compound with molecular formula C11H14N2O3S and molecular weight 254.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-hydroxyethylcarbamothioylamino)benzoate
Also Known As: AB01331162-02, methyl 4-(3-(2-hydroxyethyl)thioureido)benzoate, methyl 4-{[(2-hydroxyethyl)carbamothioyl]amino}benzoate, methyl 4-(2-hydroxyethylcarbamothioylamino)benzoate, methyl 4-({[(2-hydroxyethyl)amino]thioxomethyl}amino)benzoate
| Molecular Formula | C11H14N2O3S |
|---|---|
| Molecular Weight | 254.07 g/mol |
| LogP | 0.7519 |
| Topological Polar Surface Area | 70.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.07251 |
| Heavy Atoms | 17 |
| Complexity | 392.20795 |
Chemical Identifiers
| CAS Number | 708290-28-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=S)NCCO |
Product Overview
Methyl 4-{[(2-hydroxyethyl)carbamothioyl]amino}benzoate (CAS 708290-28-2), with molecular formula C11H14N2O3S and molecular weight 254.07 g/mol. IUPAC: methyl 4-(2-hydroxyethylcarbamothioylamino)benzoate.
Chemical Property Profile of Methyl 4-{[(2-hydroxyethyl)carbamothioyl]amino}benzoate
Property Insights of Methyl 4-{[(2-hydroxyethyl)carbamothioyl]amino}benzoate
The XLogP value of 0.7519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{[(2-hydroxyethyl)carbamothioyl]amino}benzoate. The TPSA of 70.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[(2-hydroxyethyl)carbamothioyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 4-{[(2-hydroxyethyl)carbamothioyl]amino}benzoate has 3 hydrogen bond donor(s) and 4 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 4-{[(2-hydroxyethyl)carbamothioyl]amino}benzoate?
The CAS number of Methyl 4-{[(2-hydroxyethyl)carbamothioyl]amino}benzoate is 708290-28-2.
What is the molecular formula of Methyl 4-{[(2-hydroxyethyl)carbamothioyl]amino}benzoate?
The molecular formula of Methyl 4-{[(2-hydroxyethyl)carbamothioyl]amino}benzoate is C11H14N2O3S.
What is the molecular weight of Methyl 4-{[(2-hydroxyethyl)carbamothioyl]amino}benzoate?
The molecular weight of Methyl 4-{[(2-hydroxyethyl)carbamothioyl]amino}benzoate is 254.07 g/mol.
Where can I buy Methyl 4-{[(2-hydroxyethyl)carbamothioyl]amino}benzoate?
You can request a quote for Methyl 4-{[(2-hydroxyethyl)carbamothioyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-{[(2-hydroxyethyl)carbamothioyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[(2-hydroxyethyl)carbamothioyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.