![Methyl [4-({[3-(morpholin-4-yl)propyl]carbamothioyl}amino)phenyl]acetate structure](/static/products/5164/516457-65-1.webp)
Methyl [4-({[3-(morpholin-4-yl)propyl]carbamothioyl}amino)phenyl]acetate
TL;DR: Methyl [4-({[3-(morpholin-4-yl)propyl]carbamothioyl}amino)phenyl]acetate (CAS 516457-65-1) is a chemical compound with molecular formula C17H25N3O3S and molecular weight 351.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(3-morpholin-4-ylpropylcarbamothioylamino)phenyl]acetate
Also Known As: methyl [4-({[3-(morpholin-4-yl)propyl]carbamothioyl}amino)phenyl]acetate, methyl 2-(4-(3-(3-morpholinopropyl)thioureido)phenyl)acetate, methyl 2-[4-(3-morpholin-4-ylpropylcarbamothioylamino)phenyl]acetate, Methyl 2-[4-(3-morpholin-4-ylpropylthiocarbamoylamino)phenyl]acetate, methyl {4-[({[3-(4-morpholinyl)propyl]amino}carbonothioyl)amino]phenyl}acetate
| Molecular Formula | C17H25N3O3S |
|---|---|
| Molecular Weight | 351.16 g/mol |
| LogP | 1.4108 |
| Topological Polar Surface Area | 62.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 351.16165 |
| Heavy Atoms | 24 |
| Complexity | 530.3872 |
Chemical Identifiers
| CAS Number | 516457-65-1 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=S)NCCCN2CCOCC2 |
Product Overview
Methyl [4-({[3-(morpholin-4-yl)propyl]carbamothioyl}amino)phenyl]acetate (CAS 516457-65-1), with molecular formula C17H25N3O3S and molecular weight 351.16 g/mol. IUPAC: methyl 2-[4-(3-morpholin-4-ylpropylcarbamothioylamino)phenyl]acetate.
Chemical Property Profile of Methyl [4-({[3-(morpholin-4-yl)propyl]carbamothioyl}amino)phenyl]acetate
Property Insights of Methyl [4-({[3-(morpholin-4-yl)propyl]carbamothioyl}amino)phenyl]acetate
The XLogP value of 1.4108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [4-({[3-(morpholin-4-yl)propyl]carbamothioyl}amino)phenyl]acetate. The TPSA of 62.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl [4-({[3-(morpholin-4-yl)propyl]carbamothioyl}amino)phenyl]acetate. Following Lipinski's Rule of Five, Methyl [4-({[3-(morpholin-4-yl)propyl]carbamothioyl}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-({[3-(morpholin-4-yl)propyl]carbamothioyl}amino)phenyl]acetate?
The CAS number of Methyl [4-({[3-(morpholin-4-yl)propyl]carbamothioyl}amino)phenyl]acetate is 516457-65-1.
What is the molecular formula of Methyl [4-({[3-(morpholin-4-yl)propyl]carbamothioyl}amino)phenyl]acetate?
The molecular formula of Methyl [4-({[3-(morpholin-4-yl)propyl]carbamothioyl}amino)phenyl]acetate is C17H25N3O3S.
What is the molecular weight of Methyl [4-({[3-(morpholin-4-yl)propyl]carbamothioyl}amino)phenyl]acetate?
The molecular weight of Methyl [4-({[3-(morpholin-4-yl)propyl]carbamothioyl}amino)phenyl]acetate is 351.16 g/mol.
Where can I buy Methyl [4-({[3-(morpholin-4-yl)propyl]carbamothioyl}amino)phenyl]acetate?
You can request a quote for Methyl [4-({[3-(morpholin-4-yl)propyl]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-({[3-(morpholin-4-yl)propyl]carbamothioyl}amino)phenyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [4-({[3-(morpholin-4-yl)propyl]carbamothioyl}amino)phenyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.