N-((Hexahydro-2,6-dioxo-1-pentyl-4-pyrimidinyl)carbonyl)-L-histidyl-L-prolinamide hydrate
TL;DR: N-((Hexahydro-2,6-dioxo-1-pentyl-4-pyrimidinyl)carbonyl)-L-histidyl-L-prolinamide hydrate (CAS 128083-59-0) is a chemical compound with molecular formula C21H31N7O5 and molecular weight 461.23868 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2,6-dioxo-1-pentyl-1,3-diazinane-4-carboxamide
Also Known As: N-((Hexahydro-2,6-dioxo-1-pentyl-4-pyrimidinyl)carbonyl)-L-histidyl-L-prolinamide hydrate, L-Prolinamide, N-((hexahydro-2,6-dioxo-1-pentyl-4-pyrimidinyl)carbonyl)-L-histidyl-, hydrate, (4S)-2-Hydroxy-N-[(2S)-1-{(2S)-2-[hydroxy(imino)methyl]pyrrolidin-1-yl}-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-oxo-1-pentyl-1,4,5,6-tetrahydropyrimidine-4-carboximidic acid, (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2,6-dioxo-1-pentyl-1,3-diazinane-4-carboxamide, 2-Hydroxy-N-[1-{2-[hydroxy(imino)methyl]pyrrolidin-1-yl}-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-oxo-1-pentyl-1,4,5,6-tetrahydropyrimidine-4-carboximidic acid
Technical Specifications
| Molecular Formula | C21H31N7O5 |
| Molecular Weight | 461.23868 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 171.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 461.23868 Da |
| Heavy Atoms | 33 |
| Complexity | 776.0 |
| SMILES | CCCCCN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N |
| InChIKey | YLWYFUSTRGCWQL-JYJNAYRXSA-N |
Chemical Property Profile of N-((Hexahydro-2,6-dioxo-1-pentyl-4-pyrimidinyl)carbonyl)-L-histidyl-L-prolinamide hydrate
Property Insights of N-((Hexahydro-2,6-dioxo-1-pentyl-4-pyrimidinyl)carbonyl)-L-histidyl-L-prolinamide hydrate
The XLogP value of -1.2 indicates that N-((Hexahydro-2,6-dioxo-1-pentyl-4-pyrimidinyl)carbonyl)-L-histidyl-L-prolinamide hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 171.0 Ų indicates high polarity, suggesting N-((Hexahydro-2,6-dioxo-1-pentyl-4-pyrimidinyl)carbonyl)-L-histidyl-L-prolinamide hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-((Hexahydro-2,6-dioxo-1-pentyl-4-pyrimidinyl)carbonyl)-L-histidyl-L-prolinamide hydrate has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-((Hexahydro-2,6-dioxo-1-pentyl-4-pyrimidinyl)carbonyl)-L-histidyl-L-prolinamide hydrate?
The CAS number of N-((Hexahydro-2,6-dioxo-1-pentyl-4-pyrimidinyl)carbonyl)-L-histidyl-L-prolinamide hydrate is 128083-59-0.
What is the molecular formula of N-((Hexahydro-2,6-dioxo-1-pentyl-4-pyrimidinyl)carbonyl)-L-histidyl-L-prolinamide hydrate?
The molecular formula of N-((Hexahydro-2,6-dioxo-1-pentyl-4-pyrimidinyl)carbonyl)-L-histidyl-L-prolinamide hydrate is C21H31N7O5.
What is the molecular weight of N-((Hexahydro-2,6-dioxo-1-pentyl-4-pyrimidinyl)carbonyl)-L-histidyl-L-prolinamide hydrate?
The molecular weight of N-((Hexahydro-2,6-dioxo-1-pentyl-4-pyrimidinyl)carbonyl)-L-histidyl-L-prolinamide hydrate is 461.23868 g/mol.
Where can I buy N-((Hexahydro-2,6-dioxo-1-pentyl-4-pyrimidinyl)carbonyl)-L-histidyl-L-prolinamide hydrate?
You can request a quote for N-((Hexahydro-2,6-dioxo-1-pentyl-4-pyrimidinyl)carbonyl)-L-histidyl-L-prolinamide hydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-((Hexahydro-2,6-dioxo-1-pentyl-4-pyrimidinyl)carbonyl)-L-histidyl-L-prolinamide hydrate?
Yes, CoreyChem provides custom synthesis services for N-((Hexahydro-2,6-dioxo-1-pentyl-4-pyrimidinyl)carbonyl)-L-histidyl-L-prolinamide hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.