Taltirelin
TL;DR: Taltirelin (CAS 128111-64-8) is a chemical compound with molecular formula C17H23N7O5 and molecular weight 405.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide
Also Known As: Taltirelin, D-Prolinamide, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, N-[(4S)-1-Methyl-2,6-dioxo-1,3-diazinane-4-carbonyl]-L-histidyl-D-prolinamide, (4S)-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide, RefChem:336551
| Molecular Formula | C17H23N7O5 |
|---|---|
| Molecular Weight | 405.18 g/mol |
| LogP | -2.1464 |
| Topological Polar Surface Area | 170.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.17606 |
| Heavy Atoms | 29 |
| Complexity | 806.14795 |
Chemical Identifiers
| CAS Number | 128111-64-8 |
|---|---|
| SMILES | CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@@H]3C(=O)N |
Product Overview
Taltirelin (CAS 128111-64-8), with molecular formula C17H23N7O5 and molecular weight 405.18 g/mol. IUPAC: (4S)-N-[(2S)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide.
Chemical Property Profile of Taltirelin
Property Insights of Taltirelin
The XLogP value of -2.1464 indicates that Taltirelin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 170.59 Ų indicates high polarity, suggesting Taltirelin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Taltirelin 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 Taltirelin?
The CAS number of Taltirelin is 128111-64-8.
What is the molecular formula of Taltirelin?
The molecular formula of Taltirelin is C17H23N7O5.
What is the molecular weight of Taltirelin?
The molecular weight of Taltirelin is 405.18 g/mol.
Where can I buy Taltirelin?
You can request a quote for Taltirelin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Taltirelin?
Yes, KEHONG BIO provides custom synthesis services for Taltirelin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.