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Dimethyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}terephthalate
TL;DR: Dimethyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}terephthalate (CAS 335397-27-8) is a chemical compound with molecular formula C19H19NO6S and molecular weight 389.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]benzene-1,4-dicarboxylate
Also Known As: BAS 02255850, dimethyl 2-(2-methoxy-4-(methylthio)benzamido)terephthalate, DIMETHYL 2-{[2-METHOXY-4-(METHYLSULFANYL)BENZOYL]AMINO}TEREPHTHALATE, 2-(2-Methoxy-4-methylsulfanyl-benzoylamino)-terephthalic acid dimethyl ester, dimethyl 2-({[2-methoxy-4-(methylsulfanyl)phenyl]carbonyl}amino)benzene-1,4-dicarboxylate
| Molecular Formula | C19H19NO6S |
|---|---|
| Molecular Weight | 389.09 g/mol |
| LogP | 3.2426 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.09332 |
| Heavy Atoms | 27 |
| Complexity | 880.4988 |
Chemical Identifiers
| CAS Number | 335397-27-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)SC)C(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}terephthalate (CAS 335397-27-8), with molecular formula C19H19NO6S and molecular weight 389.09 g/mol. IUPAC: dimethyl 2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}terephthalate
Property Insights of Dimethyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}terephthalate
The XLogP value of 3.2426 indicates that Dimethyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}terephthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}terephthalate. Following Lipinski's Rule of Five, Dimethyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}terephthalate has 1 hydrogen bond donor(s) and 7 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-methoxy-4-(methylsulfanyl)benzoyl]amino}terephthalate?
The CAS number of Dimethyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}terephthalate is 335397-27-8.
What is the molecular formula of Dimethyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}terephthalate?
The molecular formula of Dimethyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}terephthalate is C19H19NO6S.
What is the molecular weight of Dimethyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}terephthalate?
The molecular weight of Dimethyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}terephthalate is 389.09 g/mol.
Where can I buy Dimethyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}terephthalate?
You can request a quote for Dimethyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}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-methoxy-4-(methylsulfanyl)benzoyl]amino}terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-{[2-methoxy-4-(methylsulfanyl)benzoyl]amino}terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.