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Methyl (4-{[(4-morpholinylamino)carbonothioyl]amino}phenyl)acetate
TL;DR: Methyl (4-{[(4-morpholinylamino)carbonothioyl]amino}phenyl)acetate (CAS 516458-11-0) is a chemical compound with molecular formula C14H19N3O3S and molecular weight 309.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(morpholin-4-ylcarbamothioylamino)phenyl]acetate
Also Known As: methyl (4-{[(4-morpholinylamino)carbonothioyl]amino}phenyl)acetate, Methyl 2-(4-(3-morpholinothioureido)phenyl)acetate, methyl 2-[4-(morpholin-4-ylcarbamothioylamino)phenyl]acetate
| Molecular Formula | C14H19N3O3S |
|---|---|
| Molecular Weight | 309.11 g/mol |
| LogP | 0.9357 |
| Topological Polar Surface Area | 62.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.11472 |
| Heavy Atoms | 21 |
| Complexity | 486.74252 |
Chemical Identifiers
| CAS Number | 516458-11-0 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=S)NN2CCOCC2 |
Product Overview
Methyl (4-{[(4-morpholinylamino)carbonothioyl]amino}phenyl)acetate (CAS 516458-11-0), with molecular formula C14H19N3O3S and molecular weight 309.11 g/mol. IUPAC: methyl 2-[4-(morpholin-4-ylcarbamothioylamino)phenyl]acetate.
Chemical Property Profile of Methyl (4-{[(4-morpholinylamino)carbonothioyl]amino}phenyl)acetate
Property Insights of Methyl (4-{[(4-morpholinylamino)carbonothioyl]amino}phenyl)acetate
The XLogP value of 0.9357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (4-{[(4-morpholinylamino)carbonothioyl]amino}phenyl)acetate. The TPSA of 62.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (4-{[(4-morpholinylamino)carbonothioyl]amino}phenyl)acetate. Following Lipinski's Rule of Five, Methyl (4-{[(4-morpholinylamino)carbonothioyl]amino}phenyl)acetate has 2 hydrogen bond donor(s) and 5 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-{[(4-morpholinylamino)carbonothioyl]amino}phenyl)acetate?
The CAS number of Methyl (4-{[(4-morpholinylamino)carbonothioyl]amino}phenyl)acetate is 516458-11-0.
What is the molecular formula of Methyl (4-{[(4-morpholinylamino)carbonothioyl]amino}phenyl)acetate?
The molecular formula of Methyl (4-{[(4-morpholinylamino)carbonothioyl]amino}phenyl)acetate is C14H19N3O3S.
What is the molecular weight of Methyl (4-{[(4-morpholinylamino)carbonothioyl]amino}phenyl)acetate?
The molecular weight of Methyl (4-{[(4-morpholinylamino)carbonothioyl]amino}phenyl)acetate is 309.11 g/mol.
Where can I buy Methyl (4-{[(4-morpholinylamino)carbonothioyl]amino}phenyl)acetate?
You can request a quote for Methyl (4-{[(4-morpholinylamino)carbonothioyl]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-{[(4-morpholinylamino)carbonothioyl]amino}phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (4-{[(4-morpholinylamino)carbonothioyl]amino}phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.