dimethyl 5-(3-(2-((4-chlorophenyl)thio)ethyl)thioureido)isophthalate
TL;DR: dimethyl 5-(3-(2-((4-chlorophenyl)thio)ethyl)thioureido)isophthalate (CAS 708289-60-5) is a chemical compound with molecular formula C19H19ClN2O4S2 and molecular weight 438.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-(3-(2-((4-chlorophenyl)thio)ethyl)thioureido)isophthalate, dimethyl 5-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]benzene-1,3-dicarboxylate, Dimethyl 5-[2-(4-chlorophenyl)sulfanylethylthiocarbamoylamino]benzene-1,3-dicarboxylate, dimethyl 5-[({2-[(4-chlorophenyl)sulfanyl]ethyl}carbamothioyl)amino]benzene-1,3-dicarboxylate, DIMETHYL 5-{[({2-[(4-CHLOROPHENYL)SULFANYL]ETHYL}AMINO)CARBOTHIOYL]AMINO}ISOPHTHALATE
| Molecular Formula | C19H19ClN2O4S2 |
|---|---|
| Molecular Weight | 438.05 g/mol |
| LogP | 3.9919 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.0475 |
| Heavy Atoms | 28 |
| Complexity | 825.26215 |
Chemical Identifiers
| CAS Number | 708289-60-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=S)NCCSC2=CC=C(C=C2)Cl)C(=O)OC |
Product Overview
dimethyl 5-(3-(2-((4-chlorophenyl)thio)ethyl)thioureido)isophthalate (CAS 708289-60-5), with molecular formula C19H19ClN2O4S2 and molecular weight 438.05 g/mol. IUPAC: dimethyl 5-[2-(4-chlorophenyl)sulfanylethylcarbamothioylamino]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-(3-(2-((4-chlorophenyl)thio)ethyl)thioureido)isophthalate
Property Insights of dimethyl 5-(3-(2-((4-chlorophenyl)thio)ethyl)thioureido)isophthalate
The XLogP value of 3.9919 indicates that dimethyl 5-(3-(2-((4-chlorophenyl)thio)ethyl)thioureido)isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-(3-(2-((4-chlorophenyl)thio)ethyl)thioureido)isophthalate. Following Lipinski's Rule of Five, dimethyl 5-(3-(2-((4-chlorophenyl)thio)ethyl)thioureido)isophthalate has 2 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-(3-(2-((4-chlorophenyl)thio)ethyl)thioureido)isophthalate?
The CAS number of dimethyl 5-(3-(2-((4-chlorophenyl)thio)ethyl)thioureido)isophthalate is 708289-60-5.
What is the molecular formula of dimethyl 5-(3-(2-((4-chlorophenyl)thio)ethyl)thioureido)isophthalate?
The molecular formula of dimethyl 5-(3-(2-((4-chlorophenyl)thio)ethyl)thioureido)isophthalate is C19H19ClN2O4S2.
What is the molecular weight of dimethyl 5-(3-(2-((4-chlorophenyl)thio)ethyl)thioureido)isophthalate?
The molecular weight of dimethyl 5-(3-(2-((4-chlorophenyl)thio)ethyl)thioureido)isophthalate is 438.05 g/mol.
Where can I buy dimethyl 5-(3-(2-((4-chlorophenyl)thio)ethyl)thioureido)isophthalate?
You can request a quote for dimethyl 5-(3-(2-((4-chlorophenyl)thio)ethyl)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-(2-((4-chlorophenyl)thio)ethyl)thioureido)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-(3-(2-((4-chlorophenyl)thio)ethyl)thioureido)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.