Pyrrole condensate
TL;DR: Pyrrole condensate (CAS 6631-80-7) is a chemical compound with molecular formula C12H19NO6 and molecular weight 273.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-pyrrole-3-carboxylate
Also Known As: Pyrrole condensate, Glucosamine acetoacetate condensate, J1.020.734G, ethyl 2-methyl-5-[(1r,2s,3r)-1,2,3,4-tetrahydroxybutyl]-1h-pyrrole-3-carboxylate, Ethyl-2-methyl-5-(D-arabinotetrahydroxybutyl)-3-pyrrole carboxylate
| Molecular Formula | C12H19NO6 |
|---|---|
| Molecular Weight | 273.12 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 273.12125 |
| Heavy Atoms | 19 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 6631-80-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1)[C@H]([C@@H]([C@@H](CO)O)O)O)C |
| InChIKey | IRUIHWPMMWDMGN-GMTAPVOTSA-N |
Product Overview
Pyrrole condensate (CAS 6631-80-7), with molecular formula C12H19NO6 and molecular weight 273.12 g/mol. IUPAC: ethyl 2-methyl-5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]-1H-pyrrole-3-carboxylate.
Chemical Property Profile of Pyrrole condensate
Property Insights of Pyrrole condensate
The XLogP value of -1.4 indicates that Pyrrole condensate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrole condensate. Following Lipinski's Rule of Five, Pyrrole condensate has 5 hydrogen bond donor(s) and 6 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 Pyrrole condensate?
The CAS number of Pyrrole condensate is 6631-80-7.
What is the molecular formula of Pyrrole condensate?
The molecular formula of Pyrrole condensate is C12H19NO6.
What is the molecular weight of Pyrrole condensate?
The molecular weight of Pyrrole condensate is 273.12 g/mol.
Where can I buy Pyrrole condensate?
You can request a quote for Pyrrole condensate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrole condensate?
Yes, KEHONG BIO provides custom synthesis services for Pyrrole condensate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.