Glyoxalase I inhibitor
TL;DR: Glyoxalase I inhibitor (CAS 174568-92-4) is a chemical compound with molecular formula C21H29BrN4O8S and molecular weight 576.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-5-[[3-[(4-bromophenyl)-hydroxycarbamoyl]sulfanyl-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate
Also Known As: Glyoxalase I inhibitor, Glyoxalase I inhibitor free base, NCI60_033505, ethyl 2-amino-5-[[1-[[(4-bromophenyl)-hydroxy-carbamoyl]sulfanylmethyl]-2-[(2-ethoxy-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]-5-oxo-pentanoate, ethyl 2-amino-5-[[3-[(4-bromophenyl)-hydroxycarbamoyl]sulfanyl-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate
| Molecular Formula | C21H29BrN4O8S |
|---|---|
| Molecular Weight | 576.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Exact Mass | 576.0889 |
| Heavy Atoms | 35 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 174568-92-4 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)C(CSC(=O)N(C1=CC=C(C=C1)Br)O)NC(=O)CCC(C(=O)OCC)N |
| InChIKey | PYPKSBBTQSNXLR-UHFFFAOYSA-N |
Product Overview
Glyoxalase I inhibitor (CAS 174568-92-4), with molecular formula C21H29BrN4O8S and molecular weight 576.09 g/mol. IUPAC: ethyl 2-amino-5-[[3-[(4-bromophenyl)-hydroxycarbamoyl]sulfanyl-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate.
Chemical Property Profile of Glyoxalase I inhibitor
Property Insights of Glyoxalase I inhibitor
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glyoxalase I inhibitor. The TPSA of 203.0 Ų indicates high polarity, suggesting Glyoxalase I inhibitor may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glyoxalase I inhibitor has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glyoxalase I inhibitor?
The CAS number of Glyoxalase I inhibitor is 174568-92-4.
What is the molecular formula of Glyoxalase I inhibitor?
The molecular formula of Glyoxalase I inhibitor is C21H29BrN4O8S.
What is the molecular weight of Glyoxalase I inhibitor?
The molecular weight of Glyoxalase I inhibitor is 576.09 g/mol.
Where can I buy Glyoxalase I inhibitor?
You can request a quote for Glyoxalase I inhibitor directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glyoxalase I inhibitor?
Yes, KEHONG BIO provides custom synthesis services for Glyoxalase I inhibitor and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.