Taltirelin tetrahydrate
TL;DR: Taltirelin tetrahydrate (CAS 201677-75-0) is a chemical compound with molecular formula C17H31N7O9 and molecular weight 477.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide;tetrahydrate
Also Known As: Taltirelin hydrate, Taltirelin tetrahydrate, Ceredist, taltirelinhydrate, Ceredist (TN)
| Molecular Formula | C17H31N7O9 |
|---|---|
| Molecular Weight | 477.22 g/mol |
| LogP | -5.4452 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.21832 |
| Heavy Atoms | 33 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 201677-75-0 |
|---|---|
| SMILES | CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N.O.O.O.O |
| InChIKey | HRCJDWMUKPHPHR-NTFWNTCYSA-N |
Product Overview
Taltirelin tetrahydrate (CAS 201677-75-0), with molecular formula C17H31N7O9 and molecular weight 477.22 g/mol. IUPAC: (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide;tetrahydrate.
Chemical Property Profile of Taltirelin tetrahydrate
Property Insights of Taltirelin tetrahydrate
The XLogP value of -5.4452 indicates that Taltirelin tetrahydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.0 Ų indicates high polarity, suggesting Taltirelin tetrahydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Taltirelin tetrahydrate has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Taltirelin tetrahydrate?
The CAS number of Taltirelin tetrahydrate is 201677-75-0.
What is the molecular formula of Taltirelin tetrahydrate?
The molecular formula of Taltirelin tetrahydrate is C17H31N7O9.
What is the molecular weight of Taltirelin tetrahydrate?
The molecular weight of Taltirelin tetrahydrate is 477.22 g/mol.
Where can I buy Taltirelin tetrahydrate?
You can request a quote for Taltirelin tetrahydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Taltirelin tetrahydrate?
Yes, KEHONG BIO provides custom synthesis services for Taltirelin tetrahydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.