N-(2-acetoxy)ethyl-2-(2-acetoxy)acetopyrrole
TL;DR: N-(2-acetoxy)ethyl-2-(2-acetoxy)acetopyrrole (CAS 136396-66-2) is a chemical compound with molecular formula C12H15NO5 and molecular weight 253.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-acetyloxyacetyl)pyrrol-1-yl]ethyl acetate
Also Known As: Naeaap, 2-[2-(2-acetyloxyacetyl)pyrrol-1-yl]ethyl acetate, N-(2-Acetoxy)ethyl-2-(2-acetoxy)acetopyrrole, 2-{2-[(acetyloxy)acetyl]-1H-pyrrol-1-yl}ethyl acetate, Ethanone, 2-(acetyloxy)-1-(1-(2-(acetyloxy)ethyl)-1H-pyrrol-2-yl)-
| Molecular Formula | C12H15NO5 |
|---|---|
| Molecular Weight | 253.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 253.09502 |
| Heavy Atoms | 18 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 136396-66-2 |
|---|---|
| SMILES | CC(=O)OCCN1C=CC=C1C(=O)COC(=O)C |
| InChIKey | MQOIQZQZKFIVMH-UHFFFAOYSA-N |
Product Overview
N-(2-acetoxy)ethyl-2-(2-acetoxy)acetopyrrole (CAS 136396-66-2), with molecular formula C12H15NO5 and molecular weight 253.10 g/mol. IUPAC: 2-[2-(2-acetyloxyacetyl)pyrrol-1-yl]ethyl acetate.
Chemical Property Profile of N-(2-acetoxy)ethyl-2-(2-acetoxy)acetopyrrole
Property Insights of N-(2-acetoxy)ethyl-2-(2-acetoxy)acetopyrrole
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-acetoxy)ethyl-2-(2-acetoxy)acetopyrrole. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-acetoxy)ethyl-2-(2-acetoxy)acetopyrrole. Following Lipinski's Rule of Five, N-(2-acetoxy)ethyl-2-(2-acetoxy)acetopyrrole has 0 hydrogen bond donor(s) and 5 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 N-(2-acetoxy)ethyl-2-(2-acetoxy)acetopyrrole?
The CAS number of N-(2-acetoxy)ethyl-2-(2-acetoxy)acetopyrrole is 136396-66-2.
What is the molecular formula of N-(2-acetoxy)ethyl-2-(2-acetoxy)acetopyrrole?
The molecular formula of N-(2-acetoxy)ethyl-2-(2-acetoxy)acetopyrrole is C12H15NO5.
What is the molecular weight of N-(2-acetoxy)ethyl-2-(2-acetoxy)acetopyrrole?
The molecular weight of N-(2-acetoxy)ethyl-2-(2-acetoxy)acetopyrrole is 253.10 g/mol.
Where can I buy N-(2-acetoxy)ethyl-2-(2-acetoxy)acetopyrrole?
You can request a quote for N-(2-acetoxy)ethyl-2-(2-acetoxy)acetopyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-acetoxy)ethyl-2-(2-acetoxy)acetopyrrole?
Yes, KEHONG BIO provides custom synthesis services for N-(2-acetoxy)ethyl-2-(2-acetoxy)acetopyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.