C16H21N7O5S.3/4H2O
TL;DR: C16H21N7O5S.3/4H2O (CAS 128055-87-8) is a chemical compound with molecular formula C16H21N7O5S and molecular weight 423.13248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R)-3-[(2S)-3-(1H-imidazol-5-yl)-2-[[(4S)-1-methyl-2,6-dioxo-1,3-diazinane-4-carbonyl]amino]propanoyl]-1,3-thiazolidine-4-carboxamide
Also Known As: C16H21N7O5S.3/4H2O, C16-H21-N7-O5-S.3/4H2-O, 4-Pyrimidinecarboxamide, hexahydro-N-(2-(4-aminocarbonyl)-3-thiazolidinyl)-1-(1H-imidazol-4-ylmethyl)-2-oxoethyl)-2,6-dioxo-1-methyl-, (4S-(4R*(R*(S*))))-, hydrate (4:3), (4R)-3-[(2S)-3-(1H-imidazol-5-yl)-2-[[(4S)-1-methyl-2,6-dioxo-1,3-diazinane-4-carbonyl]amino]propanoyl]-1,3-thiazolidine-4-carboxamide, (4R)-3-[N-[[(4S)-1-Methylhexahydro-2,6-dioxopyrimidin]-4-ylcarbonyl]-L-His-]thiazolidine-4-carboxamide
Technical Specifications
| Molecular Formula | C16H21N7O5S |
| Molecular Weight | 423.13248 g/mol |
| XLogP | -2.4 |
| Topological Polar Surface Area (TPSA) | 196.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.13248 Da |
| Heavy Atoms | 29 |
| Complexity | 720.0 |
| SMILES | CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CSC[C@H]3C(=O)N |
| InChIKey | YZOAIMIYGPLRLH-DCAQKATOSA-N |
Chemical Property Profile of C16H21N7O5S.3/4H2O
Property Insights of C16H21N7O5S.3/4H2O
The XLogP value of -2.4 indicates that C16H21N7O5S.3/4H2O is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 196.0 Ų indicates high polarity, suggesting C16H21N7O5S.3/4H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C16H21N7O5S.3/4H2O has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C16H21N7O5S.3/4H2O?
The CAS number of C16H21N7O5S.3/4H2O is 128055-87-8.
What is the molecular formula of C16H21N7O5S.3/4H2O?
The molecular formula of C16H21N7O5S.3/4H2O is C16H21N7O5S.
What is the molecular weight of C16H21N7O5S.3/4H2O?
The molecular weight of C16H21N7O5S.3/4H2O is 423.13248 g/mol.
Where can I buy C16H21N7O5S.3/4H2O?
You can request a quote for C16H21N7O5S.3/4H2O directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C16H21N7O5S.3/4H2O?
Yes, CoreyChem provides custom synthesis services for C16H21N7O5S.3/4H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.