Methyl 3-(methoxycarbonyl)-5-(2-pyrimidin-2-ylthioacetylamino)benzoate
TL;DR: Methyl 3-(methoxycarbonyl)-5-(2-pyrimidin-2-ylthioacetylamino)benzoate (CAS 569633-18-7) is a chemical compound with molecular formula C16H15N3O5S and molecular weight 361.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(2-(pyrimidin-2-ylthio)acetamido)isophthalate, dimethyl 5-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylate, dimethyl 5-{[(pyrimidin-2-ylsulfanyl)acetyl]amino}benzene-1,3-dicarboxylate, DIMETHYL 5-{[2-(2-PYRIMIDINYLSULFANYL)ACETYL]AMINO}ISOPHTHALATE, methyl 3-(methoxycarbonyl)-5-(2-pyrimidin-2-ylthioacetylamino)benzoate
| Molecular Formula | C16H15N3O5S |
|---|---|
| Molecular Weight | 361.07 g/mol |
| LogP | 1.7806 |
| Topological Polar Surface Area | 107.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.07324 |
| Heavy Atoms | 25 |
| Complexity | 748.3446 |
Chemical Identifiers
| CAS Number | 569633-18-7 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC=CC=N2)C(=O)OC |
Product Overview
Methyl 3-(methoxycarbonyl)-5-(2-pyrimidin-2-ylthioacetylamino)benzoate (CAS 569633-18-7), with molecular formula C16H15N3O5S and molecular weight 361.07 g/mol. IUPAC: dimethyl 5-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Methyl 3-(methoxycarbonyl)-5-(2-pyrimidin-2-ylthioacetylamino)benzoate
Property Insights of Methyl 3-(methoxycarbonyl)-5-(2-pyrimidin-2-ylthioacetylamino)benzoate
The XLogP value of 1.7806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(methoxycarbonyl)-5-(2-pyrimidin-2-ylthioacetylamino)benzoate. The TPSA of 107.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(methoxycarbonyl)-5-(2-pyrimidin-2-ylthioacetylamino)benzoate. Following Lipinski's Rule of Five, Methyl 3-(methoxycarbonyl)-5-(2-pyrimidin-2-ylthioacetylamino)benzoate has 1 hydrogen bond donor(s) and 8 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 3-(methoxycarbonyl)-5-(2-pyrimidin-2-ylthioacetylamino)benzoate?
The CAS number of Methyl 3-(methoxycarbonyl)-5-(2-pyrimidin-2-ylthioacetylamino)benzoate is 569633-18-7.
What is the molecular formula of Methyl 3-(methoxycarbonyl)-5-(2-pyrimidin-2-ylthioacetylamino)benzoate?
The molecular formula of Methyl 3-(methoxycarbonyl)-5-(2-pyrimidin-2-ylthioacetylamino)benzoate is C16H15N3O5S.
What is the molecular weight of Methyl 3-(methoxycarbonyl)-5-(2-pyrimidin-2-ylthioacetylamino)benzoate?
The molecular weight of Methyl 3-(methoxycarbonyl)-5-(2-pyrimidin-2-ylthioacetylamino)benzoate is 361.07 g/mol.
Where can I buy Methyl 3-(methoxycarbonyl)-5-(2-pyrimidin-2-ylthioacetylamino)benzoate?
You can request a quote for Methyl 3-(methoxycarbonyl)-5-(2-pyrimidin-2-ylthioacetylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(methoxycarbonyl)-5-(2-pyrimidin-2-ylthioacetylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(methoxycarbonyl)-5-(2-pyrimidin-2-ylthioacetylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.