Taltirelin Impurity 3
TL;DR: Taltirelin Impurity 3 (CAS 59760-05-3) is a chemical compound with molecular formula C16H21N7O5 and molecular weight 391.16 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]-2,6-dioxo-1,3-diazinane-4-carboxamide
Also Known As: Taltirelin Impurity 3, (S)-N-((Hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-L-prolinamide, L-Prolinamide, N-((hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate, (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2,6-dioxo-1,3-diazinane-4-carboxamide, (4S)-2,6-Dihydroxy-N-[(2S)-1-{(2S)-2-[hydroxy(imino)methyl]pyrrolidin-1-yl}-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4,5-dihydropyrimidine-4-carboximidic acid
| Molecular Formula | C16H21N7O5 |
|---|---|
| Molecular Weight | 391.16 g/mol |
| LogP | -2.4886 |
| Topological Polar Surface Area | 179.38 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.16043 |
| Heavy Atoms | 28 |
| Complexity | 777.3136 |
Chemical Identifiers
| CAS Number | 59760-05-3 |
|---|---|
| SMILES | C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CC(=O)NC(=O)N3)C(=O)N |
Product Overview
Taltirelin Impurity 3 (CAS 59760-05-3), with molecular formula C16H21N7O5 and molecular weight 391.16 g/mol. IUPAC: (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2,6-dioxo-1,3-diazinane-4-carboxamide.
Chemical Property Profile of Taltirelin Impurity 3
Property Insights of Taltirelin Impurity 3
The XLogP value of -2.4886 indicates that Taltirelin Impurity 3 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 179.38 Ų indicates high polarity, suggesting Taltirelin Impurity 3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Taltirelin Impurity 3 has 5 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 Impurity 3?
The CAS number of Taltirelin Impurity 3 is 59760-05-3.
What is the molecular formula of Taltirelin Impurity 3?
The molecular formula of Taltirelin Impurity 3 is C16H21N7O5.
What is the molecular weight of Taltirelin Impurity 3?
The molecular weight of Taltirelin Impurity 3 is 391.16 g/mol.
Where can I buy Taltirelin Impurity 3?
You can request a quote for Taltirelin Impurity 3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Taltirelin Impurity 3?
Yes, KEHONG BIO provides custom synthesis services for Taltirelin Impurity 3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.