![Methyl 4-{[(3-oxothiomorpholin-2-yl)acetyl]amino}benzoate structure](/static/products/3613/361367-95-5.webp)
Methyl 4-{[(3-oxothiomorpholin-2-yl)acetyl]amino}benzoate
TL;DR: Methyl 4-{[(3-oxothiomorpholin-2-yl)acetyl]amino}benzoate (CAS 361367-95-5) is a chemical compound with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(3-oxothiomorpholin-2-yl)acetyl]amino]benzoate
Also Known As: BIM-0042708.P001, AB00102230-01, methyl 4-{[(3-oxothiomorpholin-2-yl)acetyl]amino}benzoate, methyl 4-[[2-(3-oxothiomorpholin-2-yl)acetyl]amino]benzoate, methyl 4-(2-(3-oxothiomorpholin-2-yl)acetamido)benzoate
| Molecular Formula | C14H16N2O4S |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 1.0334 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.08307 |
| Heavy Atoms | 21 |
| Complexity | 544.4099 |
Chemical Identifiers
| CAS Number | 361367-95-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NCCS2 |
Product Overview
Methyl 4-{[(3-oxothiomorpholin-2-yl)acetyl]amino}benzoate (CAS 361367-95-5), with molecular formula C14H16N2O4S and molecular weight 308.08 g/mol. IUPAC: methyl 4-[[2-(3-oxothiomorpholin-2-yl)acetyl]amino]benzoate.
Chemical Property Profile of Methyl 4-{[(3-oxothiomorpholin-2-yl)acetyl]amino}benzoate
Property Insights of Methyl 4-{[(3-oxothiomorpholin-2-yl)acetyl]amino}benzoate
The XLogP value of 1.0334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{[(3-oxothiomorpholin-2-yl)acetyl]amino}benzoate. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[(3-oxothiomorpholin-2-yl)acetyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 4-{[(3-oxothiomorpholin-2-yl)acetyl]amino}benzoate 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-oxothiomorpholin-2-yl)acetyl]amino}benzoate?
The CAS number of Methyl 4-{[(3-oxothiomorpholin-2-yl)acetyl]amino}benzoate is 361367-95-5.
What is the molecular formula of Methyl 4-{[(3-oxothiomorpholin-2-yl)acetyl]amino}benzoate?
The molecular formula of Methyl 4-{[(3-oxothiomorpholin-2-yl)acetyl]amino}benzoate is C14H16N2O4S.
What is the molecular weight of Methyl 4-{[(3-oxothiomorpholin-2-yl)acetyl]amino}benzoate?
The molecular weight of Methyl 4-{[(3-oxothiomorpholin-2-yl)acetyl]amino}benzoate is 308.08 g/mol.
Where can I buy Methyl 4-{[(3-oxothiomorpholin-2-yl)acetyl]amino}benzoate?
You can request a quote for Methyl 4-{[(3-oxothiomorpholin-2-yl)acetyl]amino}benzoate 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-oxothiomorpholin-2-yl)acetyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[(3-oxothiomorpholin-2-yl)acetyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.