AB00948698-03
TL;DR: AB00948698-03 (CAS 728902-82-7) is a chemical compound with molecular formula C16H16N2O8 and molecular weight 364.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-dimethyl-5-[2-(5-nitrofuran-2-carbonyl)oxyacetyl]-1H-pyrrole-3-carboxylate
Also Known As: AB00948698-03, ethyl 2,4-dimethyl-5-[2-(5-nitrofuran-2-carbonyl)oxyacetyl]-1H-pyrrole-3-carboxylate, Ethyl 2,4-dimethyl-5-{[(5-nitrofuran-2-carbonyl)oxy]acetyl}-1H-pyrrole-3-carboxylate
| Molecular Formula | C16H16N2O8 |
|---|---|
| Molecular Weight | 364.09 g/mol |
| LogP | 2.34914 |
| Topological Polar Surface Area | 141.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 364.09067 |
| Heavy Atoms | 26 |
| Complexity | 876.94196 |
Chemical Identifiers
| CAS Number | 728902-82-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-])C |
Product Overview
AB00948698-03 (CAS 728902-82-7), with molecular formula C16H16N2O8 and molecular weight 364.09 g/mol. IUPAC: ethyl 2,4-dimethyl-5-[2-(5-nitrofuran-2-carbonyl)oxyacetyl]-1H-pyrrole-3-carboxylate.
Chemical Property Profile of AB00948698-03
Property Insights of AB00948698-03
The XLogP value of 2.34914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00948698-03. The TPSA of 141.74 Ų indicates high polarity, suggesting AB00948698-03 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00948698-03 has 1 hydrogen bond donor(s) and 8 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 AB00948698-03?
The CAS number of AB00948698-03 is 728902-82-7.
What is the molecular formula of AB00948698-03?
The molecular formula of AB00948698-03 is C16H16N2O8.
What is the molecular weight of AB00948698-03?
The molecular weight of AB00948698-03 is 364.09 g/mol.
Where can I buy AB00948698-03?
You can request a quote for AB00948698-03 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00948698-03?
Yes, KEHONG BIO provides custom synthesis services for AB00948698-03 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.