C18H25N7O5.3/2H2O
TL;DR: C18H25N7O5.3/2H2O (CAS 128111-68-2) is a chemical compound with molecular formula C18H25N7O5 and molecular weight 419.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-ethyl-2,6-dioxo-1,3-diazinane-4-carboxamide
Also Known As: C18H25N7O5.3/2H2O, C18-H25-N7-O5.3/2H2-O, L-Prolinamide, N-((hexahydro-1-ethyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (R)-, hydrate (2:3), N-[(4R)-1-Ethyl-2,6-dioxo-1,3-diazinane-4-carbonyl]-L-histidyl-L-prolinamide, (4R)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-ethyl-2,6-dioxo-1,3-diazinane-4-carboxamide
| Molecular Formula | C18H25N7O5 |
|---|---|
| Molecular Weight | 419.19 g/mol |
| LogP | -1.7563 |
| Topological Polar Surface Area | 170.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.1917 |
| Heavy Atoms | 30 |
| Complexity | 821.9881 |
Chemical Identifiers
| CAS Number | 128111-68-2 |
|---|---|
| SMILES | CCN1C(=O)C[C@@H](NC1=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N |
Product Overview
C18H25N7O5.3/2H2O (CAS 128111-68-2), with molecular formula C18H25N7O5 and molecular weight 419.19 g/mol. IUPAC: (4R)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-ethyl-2,6-dioxo-1,3-diazinane-4-carboxamide.
Chemical Property Profile of C18H25N7O5.3/2H2O
Property Insights of C18H25N7O5.3/2H2O
The XLogP value of -1.7563 indicates that C18H25N7O5.3/2H2O is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 170.59 Ų indicates high polarity, suggesting C18H25N7O5.3/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C18H25N7O5.3/2H2O 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
Frequently Asked Questions
What is the CAS number of C18H25N7O5.3/2H2O?
The CAS number of C18H25N7O5.3/2H2O is 128111-68-2.
What is the molecular formula of C18H25N7O5.3/2H2O?
The molecular formula of C18H25N7O5.3/2H2O is C18H25N7O5.
What is the molecular weight of C18H25N7O5.3/2H2O?
The molecular weight of C18H25N7O5.3/2H2O is 419.19 g/mol.
Where can I buy C18H25N7O5.3/2H2O?
You can request a quote for C18H25N7O5.3/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H25N7O5.3/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C18H25N7O5.3/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.