3-Phenylpropyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate
TL;DR: 3-Phenylpropyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate (CAS 60555-56-8) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylpropyl 5-oxopyrrolidine-2-carboxylate
Also Known As: 3-Phenylpropyl 5-oxoprolinate, 3-phenylpropyl 5-oxopyrrolidine-2-carboxylate, 3-Phenylpropyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate, EINECS 262-290-7
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 60555-56-8 |
|---|---|
| SMILES | C1CC(=O)NC1C(=O)OCCCC2=CC=CC=C2 |
| InChIKey | SOIVJGYTVHDYQH-UHFFFAOYSA-N |
Product Overview
3-Phenylpropyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate (CAS 60555-56-8), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: 3-phenylpropyl 5-oxopyrrolidine-2-carboxylate.
Chemical Property Profile of 3-Phenylpropyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate
Property Insights of 3-Phenylpropyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylpropyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, 3-Phenylpropyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylpropyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate 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 3-Phenylpropyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate?
The CAS number of 3-Phenylpropyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate is 60555-56-8.
What is the molecular formula of 3-Phenylpropyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate?
The molecular formula of 3-Phenylpropyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate is C14H17NO3.
What is the molecular weight of 3-Phenylpropyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate?
The molecular weight of 3-Phenylpropyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate is 247.12 g/mol.
Where can I buy 3-Phenylpropyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate?
You can request a quote for 3-Phenylpropyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylpropyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylpropyl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.