C18-H25-N7-O5.1/2H2-O
TL;DR: C18-H25-N7-O5.1/2H2-O (CAS 128056-17-7) is a chemical compound with molecular formula C18H25N7O5 and molecular weight 419.1917 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]-1,3-dimethyl-2,6-dioxo-1,3-diazinane-4-carboxamide
Also Known As: C18-H25-N7-O5.1/2H2-O, L-Prolinamide, N-((hexahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hemihydrate, (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1,3-dimethyl-2,6-dioxo-1,3-diazinane-4-carboxamide, (4S)-N-[(2S)-1-{(2S)-2-[Hydroxy(imino)methyl]pyrrolidin-1-yl}-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1,3-dimethyl-2,6-dioxo-1,3-diazinane-4-carboximidic acid, N-[1-{2-[Hydroxy(imino)methyl]pyrrolidin-1-yl}-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1,3-dimethyl-2,6-dioxo-1,3-diazinane-4-carboximidic acid
Technical Specifications
| Molecular Formula | C18H25N7O5 |
| Molecular Weight | 419.1917 g/mol |
| XLogP | -2.8 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.1917 Da |
| Heavy Atoms | 30 |
| Complexity | 744.0 |
| SMILES | CN1[C@@H](CC(=O)N(C1=O)C)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N |
| InChIKey | JMERPGMNJOQQDF-AVGNSLFASA-N |
Chemical Property Profile of C18-H25-N7-O5.1/2H2-O
Property Insights of C18-H25-N7-O5.1/2H2-O
The XLogP value of -2.8 indicates that C18-H25-N7-O5.1/2H2-O is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 162.0 Ų indicates high polarity, suggesting C18-H25-N7-O5.1/2H2-O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C18-H25-N7-O5.1/2H2-O has 3 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 C18-H25-N7-O5.1/2H2-O?
The CAS number of C18-H25-N7-O5.1/2H2-O is 128056-17-7.
What is the molecular formula of C18-H25-N7-O5.1/2H2-O?
The molecular formula of C18-H25-N7-O5.1/2H2-O is C18H25N7O5.
What is the molecular weight of C18-H25-N7-O5.1/2H2-O?
The molecular weight of C18-H25-N7-O5.1/2H2-O is 419.1917 g/mol.
Where can I buy C18-H25-N7-O5.1/2H2-O?
You can request a quote for C18-H25-N7-O5.1/2H2-O directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C18-H25-N7-O5.1/2H2-O?
Yes, CoreyChem provides custom synthesis services for C18-H25-N7-O5.1/2H2-O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.