![[(1,1-dioxo-1lambda6-thiolan-3-yl)(methyl)carbamoyl]methyl 3,4,5,6-tetrachloropyridine-2-carboxylate structure](/static/products/796/796085-76-2.png)
[(1,1-dioxo-1lambda6-thiolan-3-yl)(methyl)carbamoyl]methyl 3,4,5,6-tetrachloropyridine-2-carboxylate
TL;DR: [(1,1-dioxo-1lambda6-thiolan-3-yl)(methyl)carbamoyl]methyl 3,4,5,6-tetrachloropyridine-2-carboxylate (CAS 796085-76-2) is a chemical compound with molecular formula C13H12Cl4N2O5S and molecular weight 447.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate
Also Known As: [(1,1-dioxo-1lambda6-thiolan-3-yl)(methyl)carbamoyl]methyl 3,4,5,6-tetrachloropyridine-2-carboxylate|[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate|[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl] 3,4,5,6-tetrakis(chloranyl)pyridine-2-carboxylate|3,4,5,6-tetrachloro-2-pyridinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)-methylamino]-2-oxoethyl] ester|3,4,5,6-tetrachloropicolinic acid [2-[(1,1-diketothiolan-3-yl)-methyl-amino]-2-keto-ethyl] ester|MLS000771430|SMR000376782|MLS002635361|cid_4838791|EN300-26610420
| Molecular Formula | C13H12Cl4N2O5S |
|---|---|
| Molecular Weight | 447.92 g/mol |
| LogP | 2.4975 |
| Topological Polar Surface Area | 93.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.9221 |
| Heavy Atoms | 25 |
| Complexity | 830.19855 |
Chemical Identifiers
| CAS Number | 796085-76-2 |
|---|---|
| SMILES | CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=NC(=C(C(=C2Cl)Cl)Cl)Cl |
Product Overview
[(1,1-dioxo-1lambda6-thiolan-3-yl)(methyl)carbamoyl]methyl 3,4,5,6-tetrachloropyridine-2-carboxylate (CAS 796085-76-2), with molecular formula C13H12Cl4N2O5S and molecular weight 447.92 g/mol. IUPAC: [2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 3,4,5,6-tetrachloropyridine-2-carboxylate.
Chemical Property Profile of [(1,1-dioxo-1lambda6-thiolan-3-yl)(methyl)carbamoyl]methyl 3,4,5,6-tetrachloropyridine-2-carboxylate
Property Insights of [(1,1-dioxo-1lambda6-thiolan-3-yl)(methyl)carbamoyl]methyl 3,4,5,6-tetrachloropyridine-2-carboxylate
The XLogP value of 2.4975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1,1-dioxo-1lambda6-thiolan-3-yl)(methyl)carbamoyl]methyl 3,4,5,6-tetrachloropyridine-2-carboxylate. The TPSA of 93.64 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1,1-dioxo-1lambda6-thiolan-3-yl)(methyl)carbamoyl]methyl 3,4,5,6-tetrachloropyridine-2-carboxylate. Following Lipinski's Rule of Five, [(1,1-dioxo-1lambda6-thiolan-3-yl)(methyl)carbamoyl]methyl 3,4,5,6-tetrachloropyridine-2-carboxylate has 0 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 [(1,1-dioxo-1lambda6-thiolan-3-yl)(methyl)carbamoyl]methyl 3,4,5,6-tetrachloropyridine-2-carboxylate?
The CAS number of [(1,1-dioxo-1lambda6-thiolan-3-yl)(methyl)carbamoyl]methyl 3,4,5,6-tetrachloropyridine-2-carboxylate is 796085-76-2.
What is the molecular formula of [(1,1-dioxo-1lambda6-thiolan-3-yl)(methyl)carbamoyl]methyl 3,4,5,6-tetrachloropyridine-2-carboxylate?
The molecular formula of [(1,1-dioxo-1lambda6-thiolan-3-yl)(methyl)carbamoyl]methyl 3,4,5,6-tetrachloropyridine-2-carboxylate is C13H12Cl4N2O5S.
What is the molecular weight of [(1,1-dioxo-1lambda6-thiolan-3-yl)(methyl)carbamoyl]methyl 3,4,5,6-tetrachloropyridine-2-carboxylate?
The molecular weight of [(1,1-dioxo-1lambda6-thiolan-3-yl)(methyl)carbamoyl]methyl 3,4,5,6-tetrachloropyridine-2-carboxylate is 447.92 g/mol.
Where can I buy [(1,1-dioxo-1lambda6-thiolan-3-yl)(methyl)carbamoyl]methyl 3,4,5,6-tetrachloropyridine-2-carboxylate?
You can request a quote for [(1,1-dioxo-1lambda6-thiolan-3-yl)(methyl)carbamoyl]methyl 3,4,5,6-tetrachloropyridine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1,1-dioxo-1lambda6-thiolan-3-yl)(methyl)carbamoyl]methyl 3,4,5,6-tetrachloropyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(1,1-dioxo-1lambda6-thiolan-3-yl)(methyl)carbamoyl]methyl 3,4,5,6-tetrachloropyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.