Dimethyl 2-(2-phenyl-2-(phenylthio)acetamido)terephthalate
TL;DR: Dimethyl 2-(2-phenyl-2-(phenylthio)acetamido)terephthalate (CAS 313385-67-0) is a chemical compound with molecular formula C24H21NO5S and molecular weight 435.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-(2-phenyl-2-(phenylthio)acetamido)terephthalate, DIMETHYL 2-{[2-PHENYL-2-(PHENYLSULFANYL)ACETYL]AMINO}TEREPHTHALATE, dimethyl 2-{[phenyl(phenylsulfanyl)acetyl]amino}benzene-1,4-dicarboxylate, methyl 4-(methoxycarbonyl)-3-(2-phenyl-2-phenylthioacetylamino)benzoate, Dimethyl 2-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]benzene-1,4-dicarboxylate
| Molecular Formula | C24H21NO5S |
|---|---|
| Molecular Weight | 435.11 g/mol |
| LogP | 4.7319 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.11404 |
| Heavy Atoms | 31 |
| Complexity | 1069.8425 |
Chemical Identifiers
| CAS Number | 313385-67-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3 |
Product Overview
Dimethyl 2-(2-phenyl-2-(phenylthio)acetamido)terephthalate (CAS 313385-67-0), with molecular formula C24H21NO5S and molecular weight 435.11 g/mol. IUPAC: dimethyl 2-[(2-phenyl-2-phenylsulfanylacetyl)amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-(2-phenyl-2-(phenylthio)acetamido)terephthalate
Property Insights of Dimethyl 2-(2-phenyl-2-(phenylthio)acetamido)terephthalate
The XLogP value of 4.7319 indicates that Dimethyl 2-(2-phenyl-2-(phenylthio)acetamido)terephthalate 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 2-(2-phenyl-2-(phenylthio)acetamido)terephthalate. Following Lipinski's Rule of Five, Dimethyl 2-(2-phenyl-2-(phenylthio)acetamido)terephthalate 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 2-(2-phenyl-2-(phenylthio)acetamido)terephthalate?
The CAS number of Dimethyl 2-(2-phenyl-2-(phenylthio)acetamido)terephthalate is 313385-67-0.
What is the molecular formula of Dimethyl 2-(2-phenyl-2-(phenylthio)acetamido)terephthalate?
The molecular formula of Dimethyl 2-(2-phenyl-2-(phenylthio)acetamido)terephthalate is C24H21NO5S.
What is the molecular weight of Dimethyl 2-(2-phenyl-2-(phenylthio)acetamido)terephthalate?
The molecular weight of Dimethyl 2-(2-phenyl-2-(phenylthio)acetamido)terephthalate is 435.11 g/mol.
Where can I buy Dimethyl 2-(2-phenyl-2-(phenylthio)acetamido)terephthalate?
You can request a quote for Dimethyl 2-(2-phenyl-2-(phenylthio)acetamido)terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(2-phenyl-2-(phenylthio)acetamido)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(2-phenyl-2-(phenylthio)acetamido)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.