![dimethyl 5-{[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)carbonothioyl]amino}benzene-1,3-dicarboxylate structure](/static/products/7090/709002-98-2.webp)
dimethyl 5-{[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)carbonothioyl]amino}benzene-1,3-dicarboxylate
TL;DR: dimethyl 5-{[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)carbonothioyl]amino}benzene-1,3-dicarboxylate (CAS 709002-98-2) is a chemical compound with molecular formula C22H30N4O5S and molecular weight 462.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(4-carbamoyl-4-piperidin-1-ylpiperidine-1-carbothioyl)amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-{[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)carbonothioyl]amino}benzene-1,3-dicarboxylate, dimethyl 5-(4'-carbamoyl-[1,4'-bipiperidine]-1'-carbothioamido)isophthalate, dimethyl 5-[(4-carbamoyl-4-piperidin-1-ylpiperidine-1-carbothioyl)amino]benzene-1,3-dicarboxylate, Dimethyl 5-[[4-carbamoyl-4-(1-piperidyl)piperidine-1-carbothioyl]amino]benzene-1,3-dicarboxylate, methyl 5-{[(4-carbamoyl-4-piperidylpiperidyl)thioxomethyl]amino}-3-(methoxycar bonyl)benzoate
| Molecular Formula | C22H30N4O5S |
|---|---|
| Molecular Weight | 462.19 g/mol |
| LogP | 1.7624 |
| Topological Polar Surface Area | 114.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.1937 |
| Heavy Atoms | 32 |
| Complexity | 858.05743 |
Chemical Identifiers
| CAS Number | 709002-98-2 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NC(=S)N2CCC(CC2)(C(=O)N)N3CCCCC3)C(=O)OC |
Product Overview
dimethyl 5-{[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)carbonothioyl]amino}benzene-1,3-dicarboxylate (CAS 709002-98-2), with molecular formula C22H30N4O5S and molecular weight 462.19 g/mol. IUPAC: dimethyl 5-[(4-carbamoyl-4-piperidin-1-ylpiperidine-1-carbothioyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-{[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)carbonothioyl]amino}benzene-1,3-dicarboxylate
Property Insights of dimethyl 5-{[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)carbonothioyl]amino}benzene-1,3-dicarboxylate
The XLogP value of 1.7624 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 5-{[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)carbonothioyl]amino}benzene-1,3-dicarboxylate. The TPSA of 114.2 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-{[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)carbonothioyl]amino}benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 5-{[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)carbonothioyl]amino}benzene-1,3-dicarboxylate has 2 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-{[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)carbonothioyl]amino}benzene-1,3-dicarboxylate?
The CAS number of dimethyl 5-{[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)carbonothioyl]amino}benzene-1,3-dicarboxylate is 709002-98-2.
What is the molecular formula of dimethyl 5-{[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)carbonothioyl]amino}benzene-1,3-dicarboxylate?
The molecular formula of dimethyl 5-{[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)carbonothioyl]amino}benzene-1,3-dicarboxylate is C22H30N4O5S.
What is the molecular weight of dimethyl 5-{[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)carbonothioyl]amino}benzene-1,3-dicarboxylate?
The molecular weight of dimethyl 5-{[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)carbonothioyl]amino}benzene-1,3-dicarboxylate is 462.19 g/mol.
Where can I buy dimethyl 5-{[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)carbonothioyl]amino}benzene-1,3-dicarboxylate?
You can request a quote for dimethyl 5-{[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)carbonothioyl]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-{[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)carbonothioyl]amino}benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-{[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)carbonothioyl]amino}benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.