1-Hexyl-4-methoxycarbonyl-2-pyrrolidone
TL;DR: 1-Hexyl-4-methoxycarbonyl-2-pyrrolidone (CAS 71548-53-3) is a chemical compound with molecular formula C12H21NO3 and molecular weight 227.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-hexyl-5-oxopyrrolidine-3-carboxylate
Also Known As: 1-Hexyl-4-methyloxycarbonyl-2-pyrrolidone, methyl 1-hexyl-5-oxopyrrolidine-3-carboxylate, 1-hexyl-4-methoxycarbonyl-2-pyrrolidone, 1-Hexyl-5-oxo-3-pyrrolidinecarboxylic acid methyl ester, methyl 1-hexyl-5-oxo-pyrrolidine-3-carboxylate
| Molecular Formula | C12H21NO3 |
|---|---|
| Molecular Weight | 227.15 g/mol |
| LogP | 1.5882 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 227.15215 |
| Heavy Atoms | 16 |
| Complexity | 252.64842 |
Chemical Identifiers
| CAS Number | 71548-53-3 |
|---|---|
| SMILES | CCCCCCN1CC(CC1=O)C(=O)OC |
Product Overview
1-Hexyl-4-methoxycarbonyl-2-pyrrolidone (CAS 71548-53-3), with molecular formula C12H21NO3 and molecular weight 227.15 g/mol. IUPAC: methyl 1-hexyl-5-oxopyrrolidine-3-carboxylate.
Chemical Property Profile of 1-Hexyl-4-methoxycarbonyl-2-pyrrolidone
Property Insights of 1-Hexyl-4-methoxycarbonyl-2-pyrrolidone
The XLogP value of 1.5882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hexyl-4-methoxycarbonyl-2-pyrrolidone. With a topological polar surface area (TPSA) of 46.61 Ų, 1-Hexyl-4-methoxycarbonyl-2-pyrrolidone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexyl-4-methoxycarbonyl-2-pyrrolidone has 0 hydrogen bond donor(s) and 3 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-Hexyl-4-methoxycarbonyl-2-pyrrolidone?
The CAS number of 1-Hexyl-4-methoxycarbonyl-2-pyrrolidone is 71548-53-3.
What is the molecular formula of 1-Hexyl-4-methoxycarbonyl-2-pyrrolidone?
The molecular formula of 1-Hexyl-4-methoxycarbonyl-2-pyrrolidone is C12H21NO3.
What is the molecular weight of 1-Hexyl-4-methoxycarbonyl-2-pyrrolidone?
The molecular weight of 1-Hexyl-4-methoxycarbonyl-2-pyrrolidone is 227.15 g/mol.
Where can I buy 1-Hexyl-4-methoxycarbonyl-2-pyrrolidone?
You can request a quote for 1-Hexyl-4-methoxycarbonyl-2-pyrrolidone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hexyl-4-methoxycarbonyl-2-pyrrolidone?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexyl-4-methoxycarbonyl-2-pyrrolidone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.