3-diazonio-4-ethoxycarbonyl-1H-pyrrol-2-olate
TL;DR: 3-diazonio-4-ethoxycarbonyl-1H-pyrrol-2-olate (CAS 57056-53-8) is a chemical compound with molecular formula C7H7N3O3 and molecular weight 181.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-diazonio-4-ethoxycarbonyl-1H-pyrrol-2-olate
Also Known As: 3-diazonio-4-ethoxycarbonyl-1H-pyrrol-2-olate, 3-Diazonio-4-(ethoxycarbonyl)-1H-pyrrol-2-olate
| Molecular Formula | C7H7N3O3 |
|---|---|
| Molecular Weight | 181.05 g/mol |
| LogP | 0.74958 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.04874 |
| Heavy Atoms | 13 |
| Complexity | 363.54993 |
Chemical Identifiers
| CAS Number | 57056-53-8 |
|---|---|
| SMILES | CCOC(=O)C1=CNC(=C1[N+]#N)[O-] |
Product Overview
3-diazonio-4-ethoxycarbonyl-1H-pyrrol-2-olate (CAS 57056-53-8), with molecular formula C7H7N3O3 and molecular weight 181.05 g/mol. IUPAC: 3-diazonio-4-ethoxycarbonyl-1H-pyrrol-2-olate.
Chemical Property Profile of 3-diazonio-4-ethoxycarbonyl-1H-pyrrol-2-olate
Property Insights of 3-diazonio-4-ethoxycarbonyl-1H-pyrrol-2-olate
The XLogP value of 0.74958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-diazonio-4-ethoxycarbonyl-1H-pyrrol-2-olate. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-diazonio-4-ethoxycarbonyl-1H-pyrrol-2-olate. Following Lipinski's Rule of Five, 3-diazonio-4-ethoxycarbonyl-1H-pyrrol-2-olate has 1 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 3-diazonio-4-ethoxycarbonyl-1H-pyrrol-2-olate?
The CAS number of 3-diazonio-4-ethoxycarbonyl-1H-pyrrol-2-olate is 57056-53-8.
What is the molecular formula of 3-diazonio-4-ethoxycarbonyl-1H-pyrrol-2-olate?
The molecular formula of 3-diazonio-4-ethoxycarbonyl-1H-pyrrol-2-olate is C7H7N3O3.
What is the molecular weight of 3-diazonio-4-ethoxycarbonyl-1H-pyrrol-2-olate?
The molecular weight of 3-diazonio-4-ethoxycarbonyl-1H-pyrrol-2-olate is 181.05 g/mol.
Where can I buy 3-diazonio-4-ethoxycarbonyl-1H-pyrrol-2-olate?
You can request a quote for 3-diazonio-4-ethoxycarbonyl-1H-pyrrol-2-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-diazonio-4-ethoxycarbonyl-1H-pyrrol-2-olate?
Yes, KEHONG BIO provides custom synthesis services for 3-diazonio-4-ethoxycarbonyl-1H-pyrrol-2-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.