C34H57N7O5.3/2H2O
TL;DR: C34H57N7O5.3/2H2O (CAS 128056-09-7) is a chemical compound with molecular formula C36H61N7O7 and molecular weight 703.46326 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
acetic acid;(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-octadecyl-2,6-dioxo-1,3-diazinane-4-carboxamide
Also Known As: C34H57N7O5.3/2H2O, C34-H57-N7-O5.3/2H2-O, L-Prolinamide, N-((hexahydro-1-octadecyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-,monoacetate, hydrate (2:3), Acetic acid--N-[(4S)-1-octadecyl-2,6-dioxo-1,3-diazinane-4-carbonyl]-L-histidyl-L-prolinamide (1/1), acetic acid; (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-octadecyl-2,6-dioxo-1,3-diazinane-4-carboxamide
Technical Specifications
| Molecular Formula | C36H61N7O7 |
| Molecular Weight | 703.46326 g/mol |
| XLogP | 4.5762 |
| Topological Polar Surface Area (TPSA) | 208.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 23 |
| Exact Mass | 703.46326 Da |
| Heavy Atoms | 50 |
| Complexity | 1010.0 |
| SMILES | CCCCCCCCCCCCCCCCCCN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N.CC(=O)O |
| InChIKey | ODKBRUFCGOJSGR-BJRQXHFHSA-N |
Chemical Property Profile of C34H57N7O5.3/2H2O
Property Insights of C34H57N7O5.3/2H2O
The XLogP value of 4.5762 indicates that C34H57N7O5.3/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 208.0 Ų indicates high polarity, suggesting C34H57N7O5.3/2H2O may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C34H57N7O5.3/2H2O has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C34H57N7O5.3/2H2O?
The CAS number of C34H57N7O5.3/2H2O is 128056-09-7.
What is the molecular formula of C34H57N7O5.3/2H2O?
The molecular formula of C34H57N7O5.3/2H2O is C36H61N7O7.
What is the molecular weight of C34H57N7O5.3/2H2O?
The molecular weight of C34H57N7O5.3/2H2O is 703.46326 g/mol.
Where can I buy C34H57N7O5.3/2H2O?
You can request a quote for C34H57N7O5.3/2H2O directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C34H57N7O5.3/2H2O?
Yes, CoreyChem provides custom synthesis services for C34H57N7O5.3/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.