2-pyrrolidin-1-ylethyl acetate
TL;DR: 2-pyrrolidin-1-ylethyl acetate (CAS 2479-91-6) is a chemical compound with molecular formula C28H27N7O3 and molecular weight 509.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide
Also Known As: 2-pyrrolidin-1-ylethyl acetate, Isophthalanide,4''-di-2-imidazolin-2-yl-, 4-acetylamino-N-(2,6-dioxo-piperidin-3-yl)-benzenesulfonamide, 4-(acetylamino)-n,n'-bis[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide, 4-acetamido-1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide
| Molecular Formula | C28H27N7O3 |
|---|---|
| Molecular Weight | 509.22 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.21753 |
| Heavy Atoms | 38 |
| Complexity | 935.0 |
Chemical Identifiers
| CAS Number | 2479-91-6 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=NCCN3)C(=O)NC4=CC=C(C=C4)C5=NCCN5 |
| InChIKey | KRXDLTPEZLUBGE-UHFFFAOYSA-N |
Product Overview
2-pyrrolidin-1-ylethyl acetate (CAS 2479-91-6), with molecular formula C28H27N7O3 and molecular weight 509.22 g/mol. IUPAC: 4-acetamido-1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide.
Chemical Property Profile of 2-pyrrolidin-1-ylethyl acetate
Property Insights of 2-pyrrolidin-1-ylethyl acetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-pyrrolidin-1-ylethyl acetate. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-pyrrolidin-1-ylethyl acetate. Following Lipinski's Rule of Five, 2-pyrrolidin-1-ylethyl acetate has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-pyrrolidin-1-ylethyl acetate?
The CAS number of 2-pyrrolidin-1-ylethyl acetate is 2479-91-6.
What is the molecular formula of 2-pyrrolidin-1-ylethyl acetate?
The molecular formula of 2-pyrrolidin-1-ylethyl acetate is C28H27N7O3.
What is the molecular weight of 2-pyrrolidin-1-ylethyl acetate?
The molecular weight of 2-pyrrolidin-1-ylethyl acetate is 509.22 g/mol.
Where can I buy 2-pyrrolidin-1-ylethyl acetate?
You can request a quote for 2-pyrrolidin-1-ylethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-pyrrolidin-1-ylethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-pyrrolidin-1-ylethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.