Succinylacetone pyrrole
TL;DR: Succinylacetone pyrrole (CAS 80037-86-1) 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.
4-[4-(2-carboxyethyl)-2-methyl-1H-pyrrol-3-yl]-4-oxobutanoic acid
Also Known As: Succinylacetone pyrrole, SA-Pyrrole, 4-[4-(2-carboxyethyl)-2-methyl-1H-pyrrol-3-yl]-4-oxobutanoic acid, 1H-Pyrrole-3-butanoic acid, 4-(2-carboxyethyl)-2-methyl-gamma-oxo-, 4-(4-(2-carboxyethyl)-2-methyl-1H-pyrrol-3-yl)-4-oxobutanoic acid
| Molecular Formula | C12H15NO5 |
|---|---|
| Molecular Weight | 253.10 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 253.09502 |
| Heavy Atoms | 18 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 80037-86-1 |
|---|---|
| SMILES | CC1=C(C(=CN1)CCC(=O)O)C(=O)CCC(=O)O |
| InChIKey | NRCLTECUGCYICQ-UHFFFAOYSA-N |
Product Overview
Succinylacetone pyrrole (CAS 80037-86-1), with molecular formula C12H15NO5 and molecular weight 253.10 g/mol. IUPAC: 4-[4-(2-carboxyethyl)-2-methyl-1H-pyrrol-3-yl]-4-oxobutanoic acid.
Chemical Property Profile of Succinylacetone pyrrole
Property Insights of Succinylacetone pyrrole
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Succinylacetone pyrrole. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Succinylacetone pyrrole. Following Lipinski's Rule of Five, Succinylacetone pyrrole has 3 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 Succinylacetone pyrrole?
The CAS number of Succinylacetone pyrrole is 80037-86-1.
What is the molecular formula of Succinylacetone pyrrole?
The molecular formula of Succinylacetone pyrrole is C12H15NO5.
What is the molecular weight of Succinylacetone pyrrole?
The molecular weight of Succinylacetone pyrrole is 253.10 g/mol.
Where can I buy Succinylacetone pyrrole?
You can request a quote for Succinylacetone pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Succinylacetone pyrrole?
Yes, KEHONG BIO provides custom synthesis services for Succinylacetone pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.