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Methyl {4-[(morpholin-4-ylcarbonothioyl)amino]phenyl}acetate
TL;DR: Methyl {4-[(morpholin-4-ylcarbonothioyl)amino]phenyl}acetate (CAS 516457-69-5) is a chemical compound with molecular formula C14H18N2O3S and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(morpholine-4-carbothioylamino)phenyl]acetate
Also Known As: methyl {4-[(morpholin-4-ylcarbonothioyl)amino]phenyl}acetate, methyl 2-(4-(morpholine-4-carbothioamido)phenyl)acetate, methyl 2-[4-(morpholine-4-carbothioylamino)phenyl]acetate, methyl 2-{4-[(morpholin-4-ylthioxomethyl)amino]phenyl}acetate, METHYL 2-{4-[(MORPHOLINOCARBOTHIOYL)AMINO]PHENYL}ACETATE
| Molecular Formula | C14H18N2O3S |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 1.4311 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.10382 |
| Heavy Atoms | 20 |
| Complexity | 469.8123 |
Chemical Identifiers
| CAS Number | 516457-69-5 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCOCC2 |
Product Overview
Methyl {4-[(morpholin-4-ylcarbonothioyl)amino]phenyl}acetate (CAS 516457-69-5), with molecular formula C14H18N2O3S and molecular weight 294.10 g/mol. IUPAC: methyl 2-[4-(morpholine-4-carbothioylamino)phenyl]acetate.
Chemical Property Profile of Methyl {4-[(morpholin-4-ylcarbonothioyl)amino]phenyl}acetate
Property Insights of Methyl {4-[(morpholin-4-ylcarbonothioyl)amino]phenyl}acetate
The XLogP value of 1.4311 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl {4-[(morpholin-4-ylcarbonothioyl)amino]phenyl}acetate. With a topological polar surface area (TPSA) of 50.8 Ų, Methyl {4-[(morpholin-4-ylcarbonothioyl)amino]phenyl}acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl {4-[(morpholin-4-ylcarbonothioyl)amino]phenyl}acetate has 1 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-[(morpholin-4-ylcarbonothioyl)amino]phenyl}acetate?
The CAS number of Methyl {4-[(morpholin-4-ylcarbonothioyl)amino]phenyl}acetate is 516457-69-5.
What is the molecular formula of Methyl {4-[(morpholin-4-ylcarbonothioyl)amino]phenyl}acetate?
The molecular formula of Methyl {4-[(morpholin-4-ylcarbonothioyl)amino]phenyl}acetate is C14H18N2O3S.
What is the molecular weight of Methyl {4-[(morpholin-4-ylcarbonothioyl)amino]phenyl}acetate?
The molecular weight of Methyl {4-[(morpholin-4-ylcarbonothioyl)amino]phenyl}acetate is 294.10 g/mol.
Where can I buy Methyl {4-[(morpholin-4-ylcarbonothioyl)amino]phenyl}acetate?
You can request a quote for Methyl {4-[(morpholin-4-ylcarbonothioyl)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-[(morpholin-4-ylcarbonothioyl)amino]phenyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl {4-[(morpholin-4-ylcarbonothioyl)amino]phenyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.