![4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester structure](/static/products/7778/777868-97-0.webp)
4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester
TL;DR: 4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester (CAS 777868-97-0) is a chemical compound with molecular formula C15H18N2O4S and molecular weight 322.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(3-oxothiomorpholin-2-yl)acetyl]amino]benzoate
Also Known As: BAS 12290786, 4-[[1-oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester, ethyl 4-[[2-(3-oxothiomorpholin-2-yl)acetyl]amino]benzoate, ethyl 4-(2-(3-oxothiomorpholin-2-yl)acetamido)benzoate, ethyl 4-{[(3-oxothiomorpholin-2-yl)acetyl]amino}benzoate
| Molecular Formula | C15H18N2O4S |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.09872 |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 777868-97-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NCCS2 |
| InChIKey | FZNMSKOVKJFGGH-UHFFFAOYSA-N |
Product Overview
4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester (CAS 777868-97-0), with molecular formula C15H18N2O4S and molecular weight 322.10 g/mol. IUPAC: ethyl 4-[[2-(3-oxothiomorpholin-2-yl)acetyl]amino]benzoate.
Chemical Property Profile of 4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester
Property Insights of 4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester. Following Lipinski's Rule of Five, 4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester 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 4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester?
The CAS number of 4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester is 777868-97-0.
What is the molecular formula of 4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester?
The molecular formula of 4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester is C15H18N2O4S.
What is the molecular weight of 4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester?
The molecular weight of 4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester is 322.10 g/mol.
Where can I buy 4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester?
You can request a quote for 4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-[[1-Oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.