RefChem:350863
TL;DR: RefChem:350863 (CAS 79438-12-3) is a chemical compound with molecular formula C17H21N7O5 and molecular weight 403.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
Also Known As: C17H21N7O5.5/4H2O, C17-H21-N7-O5.5/4H2-O, L-Prolinamide, N-((1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-,hydrate (4:5), N-(1-Methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-L-histidyl-L-prolinamide, N-[(1,2,3,6-Tetrahydro-1-methyl-2,6-dioxopyrimidin)-4-ylcarbonyl]-L-His-L-Pro-NH2
| Molecular Formula | C17H21N7O5 |
|---|---|
| Molecular Weight | 403.16 g/mol |
| LogP | -2.3859 |
| Topological Polar Surface Area | 176.04 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.16043 |
| Heavy Atoms | 29 |
| Complexity | 1007.93146 |
Chemical Identifiers
| CAS Number | 79438-12-3 |
|---|---|
| SMILES | CN1C(=O)C=C(NC1=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N |
Product Overview
RefChem:350863 (CAS 79438-12-3), with molecular formula C17H21N7O5 and molecular weight 403.16 g/mol. IUPAC: N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.
Chemical Property Profile of RefChem:350863
Property Insights of RefChem:350863
The XLogP value of -2.3859 indicates that RefChem:350863 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 176.04 Ų indicates high polarity, suggesting RefChem:350863 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:350863 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 RefChem:350863?
The CAS number of RefChem:350863 is 79438-12-3.
What is the molecular formula of RefChem:350863?
The molecular formula of RefChem:350863 is C17H21N7O5.
What is the molecular weight of RefChem:350863?
The molecular weight of RefChem:350863 is 403.16 g/mol.
Where can I buy RefChem:350863?
You can request a quote for RefChem:350863 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:350863?
Yes, KEHONG BIO provides custom synthesis services for RefChem:350863 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.