L-Prolinamide, N-((1-(2-fluoroethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate
TL;DR: L-Prolinamide, N-((1-(2-fluoroethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate (CAS 128056-05-3) is a chemical compound with molecular formula C18H24FN7O5 and molecular weight 437.18 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-(2-fluoroethyl)-2,6-dioxo-1,3-diazinane-4-carboxamide
Also Known As: L-Prolinamide, N-((1-(2-fluoroethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate, N-[(4S)-1-(2-Fluoroethyl)-2,6-dioxo-1,3-diazinane-4-carbonyl]-L-histidyl-L-prolinamide, (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-(2-fluoroethyl)-2,6-dioxo-1,3-diazinane-4-carboxamide, RefChem:350864
| Molecular Formula | C18H24FN7O5 |
|---|---|
| Molecular Weight | 437.18 g/mol |
| LogP | -1.8067 |
| Topological Polar Surface Area | 170.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 437.18228 |
| Heavy Atoms | 31 |
| Complexity | 843.4899 |
Chemical Identifiers
| CAS Number | 128056-05-3 |
|---|---|
| SMILES | C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CC(=O)N(C(=O)N3)CCF)C(=O)N |
Product Overview
L-Prolinamide, N-((1-(2-fluoroethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate (CAS 128056-05-3), with molecular formula C18H24FN7O5 and molecular weight 437.18 g/mol. IUPAC: (4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-(2-fluoroethyl)-2,6-dioxo-1,3-diazinane-4-carboxamide.
Chemical Property Profile of L-Prolinamide, N-((1-(2-fluoroethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate
Property Insights of L-Prolinamide, N-((1-(2-fluoroethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate
The XLogP value of -1.8067 indicates that L-Prolinamide, N-((1-(2-fluoroethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 170.59 Ų indicates high polarity, suggesting L-Prolinamide, N-((1-(2-fluoroethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Prolinamide, N-((1-(2-fluoroethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate 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 L-Prolinamide, N-((1-(2-fluoroethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate?
The CAS number of L-Prolinamide, N-((1-(2-fluoroethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate is 128056-05-3.
What is the molecular formula of L-Prolinamide, N-((1-(2-fluoroethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate?
The molecular formula of L-Prolinamide, N-((1-(2-fluoroethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate is C18H24FN7O5.
What is the molecular weight of L-Prolinamide, N-((1-(2-fluoroethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate?
The molecular weight of L-Prolinamide, N-((1-(2-fluoroethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate is 437.18 g/mol.
Where can I buy L-Prolinamide, N-((1-(2-fluoroethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate?
You can request a quote for L-Prolinamide, N-((1-(2-fluoroethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for L-Prolinamide, N-((1-(2-fluoroethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate?
Yes, KEHONG BIO provides custom synthesis services for L-Prolinamide, N-((1-(2-fluoroethyl)hexahydro-2,6-dioxo-4-pyrimidinyl)carbonyl)-L-histidyl-, (S)-, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.