dimethyl 5-(3-(4-sulfamoylphenethyl)thioureido)isophthalate
TL;DR: dimethyl 5-(3-(4-sulfamoylphenethyl)thioureido)isophthalate (CAS 709005-17-4) is a chemical compound with molecular formula C19H21N3O6S2 and molecular weight 451.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(3-(4-sulfamoylphenethyl)thioureido)isophthalate, dimethyl 5-({[2-(4-sulfamoylphenyl)ethyl]carbamothioyl}amino)benzene-1,3-dicarboxylate, DIMETHYL 5-[({[4-(AMINOSULFONYL)PHENETHYL]AMINO}CARBOTHIOYL)AMINO]ISOPHTHALATE, dimethyl 5-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate, methyl 3-(methoxycarbonyl)-5-[({[2-(4-sulfamoylphenyl)ethyl]amino}thioxomethyl )amino]benzoate
| Molecular Formula | C19H21N3O6S2 |
|---|---|
| Molecular Weight | 451.09 g/mol |
| LogP | 1.4363 |
| Topological Polar Surface Area | 136.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.0872 |
| Heavy Atoms | 30 |
| Complexity | 1018.18945 |
Chemical Identifiers
| CAS Number | 709005-17-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=S)NCCC2=CC=C(C=C2)S(=O)(=O)N)C(=O)OC |
Product Overview
dimethyl 5-(3-(4-sulfamoylphenethyl)thioureido)isophthalate (CAS 709005-17-4), with molecular formula C19H21N3O6S2 and molecular weight 451.09 g/mol. IUPAC: dimethyl 5-[2-(4-sulfamoylphenyl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-(3-(4-sulfamoylphenethyl)thioureido)isophthalate
Property Insights of dimethyl 5-(3-(4-sulfamoylphenethyl)thioureido)isophthalate
The XLogP value of 1.4363 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 5-(3-(4-sulfamoylphenethyl)thioureido)isophthalate. The TPSA of 136.82 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-(3-(4-sulfamoylphenethyl)thioureido)isophthalate. Following Lipinski's Rule of Five, dimethyl 5-(3-(4-sulfamoylphenethyl)thioureido)isophthalate has 3 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 5-(3-(4-sulfamoylphenethyl)thioureido)isophthalate?
The CAS number of dimethyl 5-(3-(4-sulfamoylphenethyl)thioureido)isophthalate is 709005-17-4.
What is the molecular formula of dimethyl 5-(3-(4-sulfamoylphenethyl)thioureido)isophthalate?
The molecular formula of dimethyl 5-(3-(4-sulfamoylphenethyl)thioureido)isophthalate is C19H21N3O6S2.
What is the molecular weight of dimethyl 5-(3-(4-sulfamoylphenethyl)thioureido)isophthalate?
The molecular weight of dimethyl 5-(3-(4-sulfamoylphenethyl)thioureido)isophthalate is 451.09 g/mol.
Where can I buy dimethyl 5-(3-(4-sulfamoylphenethyl)thioureido)isophthalate?
You can request a quote for dimethyl 5-(3-(4-sulfamoylphenethyl)thioureido)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5-(3-(4-sulfamoylphenethyl)thioureido)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-(3-(4-sulfamoylphenethyl)thioureido)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.