Ketone, 5-bromo-2-methoxyphenyl 1-(2-(dimethylamino)propyl)pyrrol-2-yl, citrate
TL;DR: Ketone, 5-bromo-2-methoxyphenyl 1-(2-(dimethylamino)propyl)pyrrol-2-yl, citrate (CAS 7054-85-5) is a chemical compound with molecular formula C23H29BrN2O9 and molecular weight 556.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(2-bromo-6-methoxybenzoyl)pyrrol-1-yl]propan-2-yl-dimethylazanium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate
Also Known As: 2-(5-Bromo-2-methoxybenzoyl)-1-(2-(dimethylamino)propyl)pyrrole citrate, KETONE, 5-BROMO-2-METHOXYPHENYL 1-(2-(DIMETHYLAMINO)PROPYL)PYRROL-2-YL, CITRATE, 1-[2-(2-bromo-6-methoxybenzoyl)pyrrol-1-yl]propan-2-yl-dimethylazanium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate, 1-[2-(2-bromo-6-methoxybenzoyl)pyrrol-1-yl]propan-2-yl-dimethylazanium; 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate, RefChem:350435
| Molecular Formula | C23H29BrN2O9 |
|---|---|
| Molecular Weight | 556.11 g/mol |
| LogP | -0.56 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 556.10565 |
| Heavy Atoms | 35 |
| Complexity | 600.0 |
Chemical Identifiers
| CAS Number | 7054-85-5 |
|---|---|
| SMILES | CC(CN1C=CC=C1C(=O)C2=C(C=CC=C2Br)OC)[NH+](C)C.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O |
| InChIKey | NOBRFESJNKGQOO-UHFFFAOYSA-N |
Product Overview
Ketone, 5-bromo-2-methoxyphenyl 1-(2-(dimethylamino)propyl)pyrrol-2-yl, citrate (CAS 7054-85-5), with molecular formula C23H29BrN2O9 and molecular weight 556.11 g/mol. IUPAC: 1-[2-(2-bromo-6-methoxybenzoyl)pyrrol-1-yl]propan-2-yl-dimethylazanium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate.
Chemical Property Profile of Ketone, 5-bromo-2-methoxyphenyl 1-(2-(dimethylamino)propyl)pyrrol-2-yl, citrate
Property Insights of Ketone, 5-bromo-2-methoxyphenyl 1-(2-(dimethylamino)propyl)pyrrol-2-yl, citrate
The XLogP value of -0.56 indicates that Ketone, 5-bromo-2-methoxyphenyl 1-(2-(dimethylamino)propyl)pyrrol-2-yl, citrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 171.0 Ų indicates high polarity, suggesting Ketone, 5-bromo-2-methoxyphenyl 1-(2-(dimethylamino)propyl)pyrrol-2-yl, citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ketone, 5-bromo-2-methoxyphenyl 1-(2-(dimethylamino)propyl)pyrrol-2-yl, citrate has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ketone, 5-bromo-2-methoxyphenyl 1-(2-(dimethylamino)propyl)pyrrol-2-yl, citrate?
The CAS number of Ketone, 5-bromo-2-methoxyphenyl 1-(2-(dimethylamino)propyl)pyrrol-2-yl, citrate is 7054-85-5.
What is the molecular formula of Ketone, 5-bromo-2-methoxyphenyl 1-(2-(dimethylamino)propyl)pyrrol-2-yl, citrate?
The molecular formula of Ketone, 5-bromo-2-methoxyphenyl 1-(2-(dimethylamino)propyl)pyrrol-2-yl, citrate is C23H29BrN2O9.
What is the molecular weight of Ketone, 5-bromo-2-methoxyphenyl 1-(2-(dimethylamino)propyl)pyrrol-2-yl, citrate?
The molecular weight of Ketone, 5-bromo-2-methoxyphenyl 1-(2-(dimethylamino)propyl)pyrrol-2-yl, citrate is 556.11 g/mol.
Where can I buy Ketone, 5-bromo-2-methoxyphenyl 1-(2-(dimethylamino)propyl)pyrrol-2-yl, citrate?
You can request a quote for Ketone, 5-bromo-2-methoxyphenyl 1-(2-(dimethylamino)propyl)pyrrol-2-yl, citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, 5-bromo-2-methoxyphenyl 1-(2-(dimethylamino)propyl)pyrrol-2-yl, citrate?
Yes, KEHONG BIO provides custom synthesis services for Ketone, 5-bromo-2-methoxyphenyl 1-(2-(dimethylamino)propyl)pyrrol-2-yl, citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.