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Dimethyl 5-{[(benzylsulfanyl)acetyl]amino}benzene-1,3-dicarboxylate
TL;DR: Dimethyl 5-{[(benzylsulfanyl)acetyl]amino}benzene-1,3-dicarboxylate (CAS 599159-26-9) is a chemical compound with molecular formula C19H19NO5S and molecular weight 373.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(2-benzylsulfanylacetyl)amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(2-(benzylthio)acetamido)isophthalate, dimethyl 5-[(2-benzylsulfanylacetyl)amino]benzene-1,3-dicarboxylate, dimethyl 5-{[(benzylsulfanyl)acetyl]amino}benzene-1,3-dicarboxylate, methyl 3-(methoxycarbonyl)-5-[2-(phenylmethylthio)acetylamino]benzoate
| Molecular Formula | C19H19NO5S |
|---|---|
| Molecular Weight | 373.10 g/mol |
| LogP | 3.1317 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.0984 |
| Heavy Atoms | 26 |
| Complexity | 757.5214 |
Chemical Identifiers
| CAS Number | 599159-26-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=O)CSCC2=CC=CC=C2)C(=O)OC |
Product Overview
Dimethyl 5-{[(benzylsulfanyl)acetyl]amino}benzene-1,3-dicarboxylate (CAS 599159-26-9), with molecular formula C19H19NO5S and molecular weight 373.10 g/mol. IUPAC: dimethyl 5-[(2-benzylsulfanylacetyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-{[(benzylsulfanyl)acetyl]amino}benzene-1,3-dicarboxylate
Property Insights of Dimethyl 5-{[(benzylsulfanyl)acetyl]amino}benzene-1,3-dicarboxylate
The XLogP value of 3.1317 indicates that Dimethyl 5-{[(benzylsulfanyl)acetyl]amino}benzene-1,3-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-{[(benzylsulfanyl)acetyl]amino}benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-{[(benzylsulfanyl)acetyl]amino}benzene-1,3-dicarboxylate has 1 hydrogen bond donor(s) and 6 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 Dimethyl 5-{[(benzylsulfanyl)acetyl]amino}benzene-1,3-dicarboxylate?
The CAS number of Dimethyl 5-{[(benzylsulfanyl)acetyl]amino}benzene-1,3-dicarboxylate is 599159-26-9.
What is the molecular formula of Dimethyl 5-{[(benzylsulfanyl)acetyl]amino}benzene-1,3-dicarboxylate?
The molecular formula of Dimethyl 5-{[(benzylsulfanyl)acetyl]amino}benzene-1,3-dicarboxylate is C19H19NO5S.
What is the molecular weight of Dimethyl 5-{[(benzylsulfanyl)acetyl]amino}benzene-1,3-dicarboxylate?
The molecular weight of Dimethyl 5-{[(benzylsulfanyl)acetyl]amino}benzene-1,3-dicarboxylate is 373.10 g/mol.
Where can I buy Dimethyl 5-{[(benzylsulfanyl)acetyl]amino}benzene-1,3-dicarboxylate?
You can request a quote for Dimethyl 5-{[(benzylsulfanyl)acetyl]amino}benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-{[(benzylsulfanyl)acetyl]amino}benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-{[(benzylsulfanyl)acetyl]amino}benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.