diethyl 2-(1H-pyrrol-1-yl)pentanedioate
TL;DR: diethyl 2-(1H-pyrrol-1-yl)pentanedioate (CAS 259683-85-7) is a chemical compound with molecular formula C13H19NO4 and molecular weight 253.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-pyrrol-1-ylpentanedioate
Also Known As: diethyl 2-(1H-pyrrol-1-yl)pentanedioate, diethyl 2-pyrrol-1-ylpentanedioate, 1,5-diethyl 2-(pyrrol-1-yl)pentanedioate
| Molecular Formula | C13H19NO4 |
|---|---|
| Molecular Weight | 253.13 g/mol |
| LogP | 1.9356 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 253.13141 |
| Heavy Atoms | 18 |
| Complexity | 372.35278 |
Chemical Identifiers
| CAS Number | 259683-85-7 |
|---|---|
| SMILES | CCOC(=O)CCC(C(=O)OCC)N1C=CC=C1 |
Product Overview
diethyl 2-(1H-pyrrol-1-yl)pentanedioate (CAS 259683-85-7), with molecular formula C13H19NO4 and molecular weight 253.13 g/mol. IUPAC: diethyl 2-pyrrol-1-ylpentanedioate.
Chemical Property Profile of diethyl 2-(1H-pyrrol-1-yl)pentanedioate
Property Insights of diethyl 2-(1H-pyrrol-1-yl)pentanedioate
The XLogP value of 1.9356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 2-(1H-pyrrol-1-yl)pentanedioate. With a topological polar surface area (TPSA) of 57.53 Ų, diethyl 2-(1H-pyrrol-1-yl)pentanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, diethyl 2-(1H-pyrrol-1-yl)pentanedioate has 0 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 diethyl 2-(1H-pyrrol-1-yl)pentanedioate?
The CAS number of diethyl 2-(1H-pyrrol-1-yl)pentanedioate is 259683-85-7.
What is the molecular formula of diethyl 2-(1H-pyrrol-1-yl)pentanedioate?
The molecular formula of diethyl 2-(1H-pyrrol-1-yl)pentanedioate is C13H19NO4.
What is the molecular weight of diethyl 2-(1H-pyrrol-1-yl)pentanedioate?
The molecular weight of diethyl 2-(1H-pyrrol-1-yl)pentanedioate is 253.13 g/mol.
Where can I buy diethyl 2-(1H-pyrrol-1-yl)pentanedioate?
You can request a quote for diethyl 2-(1H-pyrrol-1-yl)pentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 2-(1H-pyrrol-1-yl)pentanedioate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-(1H-pyrrol-1-yl)pentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.