![[(1,1-dioxo-1lambda6-thiolan-3-yl)(2-methylpropyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate structure](/static/products/852/852226-87-0.png)
[(1,1-dioxo-1lambda6-thiolan-3-yl)(2-methylpropyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate
TL;DR: [(1,1-dioxo-1lambda6-thiolan-3-yl)(2-methylpropyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate (CAS 852226-87-0) is a chemical compound with molecular formula C16H21ClN2O5S and molecular weight 388.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
Also Known As: [(1,1-dioxo-1lambda6-thiolan-3-yl)(2-methylpropyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate, [2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
| Molecular Formula | C16H21ClN2O5S |
|---|---|
| Molecular Weight | 388.09 g/mol |
| LogP | 1.5635 |
| Topological Polar Surface Area | 93.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.08597 |
| Heavy Atoms | 25 |
| Complexity | 733.3969 |
Chemical Identifiers
| CAS Number | 852226-87-0 |
|---|---|
| SMILES | CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CN=C(C=C2)Cl |
Product Overview
[(1,1-dioxo-1lambda6-thiolan-3-yl)(2-methylpropyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate (CAS 852226-87-0), with molecular formula C16H21ClN2O5S and molecular weight 388.09 g/mol. IUPAC: [2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate.
Chemical Property Profile of [(1,1-dioxo-1lambda6-thiolan-3-yl)(2-methylpropyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate
Property Insights of [(1,1-dioxo-1lambda6-thiolan-3-yl)(2-methylpropyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate
The XLogP value of 1.5635 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1,1-dioxo-1lambda6-thiolan-3-yl)(2-methylpropyl)carbamoyl]methyl 6-chloropyridine-3-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)(2-methylpropyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate. Following Lipinski's Rule of Five, [(1,1-dioxo-1lambda6-thiolan-3-yl)(2-methylpropyl)carbamoyl]methyl 6-chloropyridine-3-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)(2-methylpropyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate?
The CAS number of [(1,1-dioxo-1lambda6-thiolan-3-yl)(2-methylpropyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate is 852226-87-0.
What is the molecular formula of [(1,1-dioxo-1lambda6-thiolan-3-yl)(2-methylpropyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate?
The molecular formula of [(1,1-dioxo-1lambda6-thiolan-3-yl)(2-methylpropyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate is C16H21ClN2O5S.
What is the molecular weight of [(1,1-dioxo-1lambda6-thiolan-3-yl)(2-methylpropyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate?
The molecular weight of [(1,1-dioxo-1lambda6-thiolan-3-yl)(2-methylpropyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate is 388.09 g/mol.
Where can I buy [(1,1-dioxo-1lambda6-thiolan-3-yl)(2-methylpropyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate?
You can request a quote for [(1,1-dioxo-1lambda6-thiolan-3-yl)(2-methylpropyl)carbamoyl]methyl 6-chloropyridine-3-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)(2-methylpropyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(1,1-dioxo-1lambda6-thiolan-3-yl)(2-methylpropyl)carbamoyl]methyl 6-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.