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Methyl (4-{[(2-hydroxyethyl)carbamothioyl]amino}phenyl)acetate
TL;DR: Methyl (4-{[(2-hydroxyethyl)carbamothioyl]amino}phenyl)acetate (CAS 516456-91-0) is a chemical compound with molecular formula C12H16N2O3S and molecular weight 268.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(2-hydroxyethylcarbamothioylamino)phenyl]acetate
Also Known As: methyl (4-{[(2-hydroxyethyl)carbamothioyl]amino}phenyl)acetate, methyl 2-(4-(3-(2-hydroxyethyl)thioureido)phenyl)acetate, methyl 2-[4-(2-hydroxyethylcarbamothioylamino)phenyl]acetate, methyl 4-(N'-(2-hydroxyethyl)thioureido)phenylacetate, AJ-292/42035090
| Molecular Formula | C12H16N2O3S |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 0.6808 |
| Topological Polar Surface Area | 70.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.08817 |
| Heavy Atoms | 18 |
| Complexity | 406.28848 |
Chemical Identifiers
| CAS Number | 516456-91-0 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=S)NCCO |
Product Overview
Methyl (4-{[(2-hydroxyethyl)carbamothioyl]amino}phenyl)acetate (CAS 516456-91-0), with molecular formula C12H16N2O3S and molecular weight 268.09 g/mol. IUPAC: methyl 2-[4-(2-hydroxyethylcarbamothioylamino)phenyl]acetate.
Chemical Property Profile of Methyl (4-{[(2-hydroxyethyl)carbamothioyl]amino}phenyl)acetate
Property Insights of Methyl (4-{[(2-hydroxyethyl)carbamothioyl]amino}phenyl)acetate
The XLogP value of 0.6808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (4-{[(2-hydroxyethyl)carbamothioyl]amino}phenyl)acetate. The TPSA of 70.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (4-{[(2-hydroxyethyl)carbamothioyl]amino}phenyl)acetate. Following Lipinski's Rule of Five, Methyl (4-{[(2-hydroxyethyl)carbamothioyl]amino}phenyl)acetate 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}phenyl)acetate?
The CAS number of Methyl (4-{[(2-hydroxyethyl)carbamothioyl]amino}phenyl)acetate is 516456-91-0.
What is the molecular formula of Methyl (4-{[(2-hydroxyethyl)carbamothioyl]amino}phenyl)acetate?
The molecular formula of Methyl (4-{[(2-hydroxyethyl)carbamothioyl]amino}phenyl)acetate is C12H16N2O3S.
What is the molecular weight of Methyl (4-{[(2-hydroxyethyl)carbamothioyl]amino}phenyl)acetate?
The molecular weight of Methyl (4-{[(2-hydroxyethyl)carbamothioyl]amino}phenyl)acetate is 268.09 g/mol.
Where can I buy Methyl (4-{[(2-hydroxyethyl)carbamothioyl]amino}phenyl)acetate?
You can request a quote for Methyl (4-{[(2-hydroxyethyl)carbamothioyl]amino}phenyl)acetate 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}phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (4-{[(2-hydroxyethyl)carbamothioyl]amino}phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.