4-Phenylbutyl 5-oxoprolinate
TL;DR: 4-Phenylbutyl 5-oxoprolinate (CAS 60555-59-1) is a chemical compound with molecular formula C15H19NO3 and molecular weight 261.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylbutyl 5-oxopyrrolidine-2-carboxylate
Also Known As: 4-Phenylbutyl 5-oxoprolinate, 4-phenylbutyl 5-oxopyrrolidine-2-carboxylate, 4-Phenylbutyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate, EINECS 262-293-3
| Molecular Formula | C15H19NO3 |
|---|---|
| Molecular Weight | 261.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 261.1365 |
| Heavy Atoms | 19 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 60555-59-1 |
|---|---|
| SMILES | C1CC(=O)NC1C(=O)OCCCCC2=CC=CC=C2 |
| InChIKey | LJTCEFYINQOTMA-UHFFFAOYSA-N |
Product Overview
4-Phenylbutyl 5-oxoprolinate (CAS 60555-59-1), with molecular formula C15H19NO3 and molecular weight 261.14 g/mol. IUPAC: 4-phenylbutyl 5-oxopyrrolidine-2-carboxylate.
Chemical Property Profile of 4-Phenylbutyl 5-oxoprolinate
Property Insights of 4-Phenylbutyl 5-oxoprolinate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenylbutyl 5-oxoprolinate. With a topological polar surface area (TPSA) of 55.4 Ų, 4-Phenylbutyl 5-oxoprolinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenylbutyl 5-oxoprolinate has 1 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 4-Phenylbutyl 5-oxoprolinate?
The CAS number of 4-Phenylbutyl 5-oxoprolinate is 60555-59-1.
What is the molecular formula of 4-Phenylbutyl 5-oxoprolinate?
The molecular formula of 4-Phenylbutyl 5-oxoprolinate is C15H19NO3.
What is the molecular weight of 4-Phenylbutyl 5-oxoprolinate?
The molecular weight of 4-Phenylbutyl 5-oxoprolinate is 261.14 g/mol.
Where can I buy 4-Phenylbutyl 5-oxoprolinate?
You can request a quote for 4-Phenylbutyl 5-oxoprolinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenylbutyl 5-oxoprolinate?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenylbutyl 5-oxoprolinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.