Dimethyl 2-(4-carbamoylpiperidine-1-carbothioamido)terephthalate
TL;DR: Dimethyl 2-(4-carbamoylpiperidine-1-carbothioamido)terephthalate (CAS 831232-36-1) is a chemical compound with molecular formula C17H21N3O5S and molecular weight 379.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(4-carbamoylpiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-(4-carbamoylpiperidine-1-carbothioamido)terephthalate, dimethyl 2-({[4-(aminocarbonyl)-1-piperidinyl]carbonothioyl}amino)terephthalate, dimethyl 2-[(4-carbamoylpiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylate, dimethyl 2-{[(4-carbamoylpiperidin-1-yl)carbonothioyl]amino}benzene-1,4-dicarboxylate, 1,4-DIMETHYL 2-[(4-CARBAMOYLPIPERIDINE-1-CARBOTHIOYL)AMINO]BENZENE-1,4-DICARBOXYLATE
| Molecular Formula | C17H21N3O5S |
|---|---|
| Molecular Weight | 379.12 g/mol |
| LogP | 1.1539 |
| Topological Polar Surface Area | 110.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.12018 |
| Heavy Atoms | 26 |
| Complexity | 729.1086 |
Chemical Identifiers
| CAS Number | 831232-36-1 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=S)N2CCC(CC2)C(=O)N |
Product Overview
Dimethyl 2-(4-carbamoylpiperidine-1-carbothioamido)terephthalate (CAS 831232-36-1), with molecular formula C17H21N3O5S and molecular weight 379.12 g/mol. IUPAC: dimethyl 2-[(4-carbamoylpiperidine-1-carbothioyl)amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-(4-carbamoylpiperidine-1-carbothioamido)terephthalate
Property Insights of Dimethyl 2-(4-carbamoylpiperidine-1-carbothioamido)terephthalate
The XLogP value of 1.1539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(4-carbamoylpiperidine-1-carbothioamido)terephthalate. The TPSA of 110.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(4-carbamoylpiperidine-1-carbothioamido)terephthalate. Following Lipinski's Rule of Five, Dimethyl 2-(4-carbamoylpiperidine-1-carbothioamido)terephthalate 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 2-(4-carbamoylpiperidine-1-carbothioamido)terephthalate?
The CAS number of Dimethyl 2-(4-carbamoylpiperidine-1-carbothioamido)terephthalate is 831232-36-1.
What is the molecular formula of Dimethyl 2-(4-carbamoylpiperidine-1-carbothioamido)terephthalate?
The molecular formula of Dimethyl 2-(4-carbamoylpiperidine-1-carbothioamido)terephthalate is C17H21N3O5S.
What is the molecular weight of Dimethyl 2-(4-carbamoylpiperidine-1-carbothioamido)terephthalate?
The molecular weight of Dimethyl 2-(4-carbamoylpiperidine-1-carbothioamido)terephthalate is 379.12 g/mol.
Where can I buy Dimethyl 2-(4-carbamoylpiperidine-1-carbothioamido)terephthalate?
You can request a quote for Dimethyl 2-(4-carbamoylpiperidine-1-carbothioamido)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-(4-carbamoylpiperidine-1-carbothioamido)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(4-carbamoylpiperidine-1-carbothioamido)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.