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[(Propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
TL;DR: [(Propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate (CAS 733005-99-7) is a chemical compound with molecular formula C11H13ClN2O3 and molecular weight 256.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(propan-2-ylamino)ethyl] 2-chloropyridine-3-carboxylate
Also Known As: [(propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate|[2-oxo-2-(propan-2-ylamino)ethyl] 2-chloropyridine-3-carboxylate|EN300-26580777
| Molecular Formula | C11H13ClN2O3 |
|---|---|
| Molecular Weight | 256.06 g/mol |
| LogP | 1.4164 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.06146 |
| Heavy Atoms | 17 |
| Complexity | 420.9325 |
Chemical Identifiers
| CAS Number | 733005-99-7 |
|---|---|
| SMILES | CC(C)NC(=O)COC(=O)C1=C(N=CC=C1)Cl |
Product Overview
[(Propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate (CAS 733005-99-7), with molecular formula C11H13ClN2O3 and molecular weight 256.06 g/mol. IUPAC: [2-oxo-2-(propan-2-ylamino)ethyl] 2-chloropyridine-3-carboxylate.
Chemical Property Profile of [(Propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
Property Insights of [(Propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
The XLogP value of 1.4164 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(Propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for [(Propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate. Following Lipinski's Rule of Five, [(Propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate has 1 hydrogen bond donor(s) and 4 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 [(Propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate?
The CAS number of [(Propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate is 733005-99-7.
What is the molecular formula of [(Propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate?
The molecular formula of [(Propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate is C11H13ClN2O3.
What is the molecular weight of [(Propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate?
The molecular weight of [(Propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate is 256.06 g/mol.
Where can I buy [(Propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate?
You can request a quote for [(Propan-2-yl)carbamoyl]methyl 2-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 [(Propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(Propan-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.