NCI60_018871
TL;DR: NCI60_018871 (CAS 156727-62-7) is a chemical compound with molecular formula C17H21BrN4O8S and molecular weight 520.02637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-5-[[3-[(4-bromophenyl)-hydroxycarbamoyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: NCI60_018871, NCI60_033503, A-glutamyl-S-[(4-bromophenyl)(hydroxy)carbamoyl]cysteinylglycine, (S)-2-amino-5-(((R)-3-(((4-bromophenyl)(hydroxy)carbamoyl)thio)-1-((carboxymethyl)amino)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid, 2-amino-5-[[3-[(4-bromophenyl)-hydroxycarbamoyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H21BrN4O8S |
| Molecular Weight | 520.02637 g/mol |
| XLogP | -2.6 |
| Topological Polar Surface Area (TPSA) | 225.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 520.02637 Da |
| Heavy Atoms | 31 |
| Complexity | 675.0 |
| SMILES | C1=CC(=CC=C1N(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)Br |
| InChIKey | IQPLOQWSCZRUCA-UHFFFAOYSA-N |
Chemical Property Profile of NCI60_018871
Property Insights of NCI60_018871
The XLogP value of -2.6 indicates that NCI60_018871 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 225.0 Ų indicates high polarity, suggesting NCI60_018871 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_018871 has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of NCI60_018871?
The CAS number of NCI60_018871 is 156727-62-7.
What is the molecular formula of NCI60_018871?
The molecular formula of NCI60_018871 is C17H21BrN4O8S.
What is the molecular weight of NCI60_018871?
The molecular weight of NCI60_018871 is 520.02637 g/mol.
Where can I buy NCI60_018871?
You can request a quote for NCI60_018871 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for NCI60_018871?
Yes, CoreyChem provides custom synthesis services for NCI60_018871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.