C18H23N7O7.3/2H2O
TL;DR: C18H23N7O7.3/2H2O (CAS 128056-14-4) is a chemical compound with molecular formula C18H23N7O7 and molecular weight 449.1659 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4S)-4-[[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl]-2,6-dioxo-1,3-diazinan-1-yl]acetic acid
Also Known As: C18H23N7O7.3/2H2O, C18-H23-N7-O7.3/2H2-O, L-Prolinamide, N-((1-(carboxymethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate (2:3), N-[(4S)-1-(Carboxymethyl)-2,6-dioxo-1,3-diazinane-4-carbonyl]-L-histidyl-L-prolinamide, 2-[(4S)-4-[[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl]-2,6-dioxo-1,3-diazinan-1-yl]acetic acid
Technical Specifications
| Molecular Formula | C18H23N7O7 |
| Molecular Weight | 449.1659 g/mol |
| XLogP | -3.4 |
| Topological Polar Surface Area (TPSA) | 208.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 449.1659 Da |
| Heavy Atoms | 32 |
| Complexity | 819.0 |
| SMILES | C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CC(=O)N(C(=O)N3)CC(=O)O)C(=O)N |
| InChIKey | RZUZWAHHAMOBFU-SRVKXCTJSA-N |
Chemical Property Profile of C18H23N7O7.3/2H2O
Property Insights of C18H23N7O7.3/2H2O
The XLogP value of -3.4 indicates that C18H23N7O7.3/2H2O is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 208.0 Ų indicates high polarity, suggesting C18H23N7O7.3/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C18H23N7O7.3/2H2O has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C18H23N7O7.3/2H2O?
The CAS number of C18H23N7O7.3/2H2O is 128056-14-4.
What is the molecular formula of C18H23N7O7.3/2H2O?
The molecular formula of C18H23N7O7.3/2H2O is C18H23N7O7.
What is the molecular weight of C18H23N7O7.3/2H2O?
The molecular weight of C18H23N7O7.3/2H2O is 449.1659 g/mol.
Where can I buy C18H23N7O7.3/2H2O?
You can request a quote for C18H23N7O7.3/2H2O directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C18H23N7O7.3/2H2O?
Yes, CoreyChem provides custom synthesis services for C18H23N7O7.3/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.