N-(2-Acetoxy)propyl-2-(2-acetoxy)acetopyrrole
TL;DR: N-(2-Acetoxy)propyl-2-(2-acetoxy)acetopyrrole (CAS 136396-64-0) is a chemical compound with molecular formula C13H17NO5 and molecular weight 267.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[1-(2-acetyloxypropyl)pyrrol-2-yl]-2-oxoethyl] acetate
Also Known As: Napaap, N- propyl-2- acetopyrrole, N-(2-Acetoxy)propyl-2-(2-acetoxy)acetopyrrole, [2-[1-(2-acetyloxypropyl)pyrrol-2-yl]-2-oxoethyl] acetate, 1-{2-[(Acetyloxy)acetyl]-1H-pyrrol-1-yl}propan-2-yl acetate
| Molecular Formula | C13H17NO5 |
|---|---|
| Molecular Weight | 267.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 267.1107 |
| Heavy Atoms | 19 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 136396-64-0 |
|---|---|
| SMILES | CC(CN1C=CC=C1C(=O)COC(=O)C)OC(=O)C |
| InChIKey | JAKDZKXSEXYEJR-UHFFFAOYSA-N |
Product Overview
N-(2-Acetoxy)propyl-2-(2-acetoxy)acetopyrrole (CAS 136396-64-0), with molecular formula C13H17NO5 and molecular weight 267.11 g/mol. IUPAC: [2-[1-(2-acetyloxypropyl)pyrrol-2-yl]-2-oxoethyl] acetate.
Chemical Property Profile of N-(2-Acetoxy)propyl-2-(2-acetoxy)acetopyrrole
Property Insights of N-(2-Acetoxy)propyl-2-(2-acetoxy)acetopyrrole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Acetoxy)propyl-2-(2-acetoxy)acetopyrrole. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Acetoxy)propyl-2-(2-acetoxy)acetopyrrole. Following Lipinski's Rule of Five, N-(2-Acetoxy)propyl-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)propyl-2-(2-acetoxy)acetopyrrole?
The CAS number of N-(2-Acetoxy)propyl-2-(2-acetoxy)acetopyrrole is 136396-64-0.
What is the molecular formula of N-(2-Acetoxy)propyl-2-(2-acetoxy)acetopyrrole?
The molecular formula of N-(2-Acetoxy)propyl-2-(2-acetoxy)acetopyrrole is C13H17NO5.
What is the molecular weight of N-(2-Acetoxy)propyl-2-(2-acetoxy)acetopyrrole?
The molecular weight of N-(2-Acetoxy)propyl-2-(2-acetoxy)acetopyrrole is 267.11 g/mol.
Where can I buy N-(2-Acetoxy)propyl-2-(2-acetoxy)acetopyrrole?
You can request a quote for N-(2-Acetoxy)propyl-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)propyl-2-(2-acetoxy)acetopyrrole?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Acetoxy)propyl-2-(2-acetoxy)acetopyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.