L-Histidine, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-, methyl ester, (S)-, dihydrate
TL;DR: L-Histidine, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-, methyl ester, (S)-, dihydrate (CAS 128055-88-9) is a chemical compound with molecular formula C13H17N5O5 and molecular weight 323.12296 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-3-(1H-imidazol-5-yl)-2-[[(4S)-1-methyl-2,6-dioxo-1,3-diazinane-4-carbonyl]amino]propanoate
Also Known As: L-Histidine, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-, methyl ester, (S)-, dihydrate, Methyl N-[(4S)-1-methyl-2,6-dioxo-1,3-diazinane-4-carbonyl]-L-histidinate, N-[[(4S)-1-Methylhexahydro-2,6-dioxopyrimidin]-4alpha-ylcarbonyl]-L-His-OMe, methyl (2S)-3-(1H-imidazol-4-yl)-2-{[(4S)-1-methyl-2,6-dioxo-1,3-diazinan-4-yl]formamido}propanoate, methyl (2S)-3-(1H-imidazol-5-yl)-2-[[(4S)-1-methyl-2,6-dioxo-1,3-diazinane-4-carbonyl]amino]propanoate
Technical Specifications
| Molecular Formula | C13H17N5O5 |
| Molecular Weight | 323.12296 g/mol |
| XLogP | -1.5 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.12296 Da |
| Heavy Atoms | 23 |
| Complexity | 511.0 |
| SMILES | CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)OC |
| InChIKey | BDVBVBRMXRUAQS-IUCAKERBSA-N |
Chemical Property Profile of L-Histidine, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-, methyl ester, (S)-, dihydrate
Property Insights of L-Histidine, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-, methyl ester, (S)-, dihydrate
The XLogP value of -1.5 indicates that L-Histidine, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-, methyl ester, (S)-, dihydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for L-Histidine, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-, methyl ester, (S)-, dihydrate. Following Lipinski's Rule of Five, L-Histidine, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-, methyl ester, (S)-, dihydrate has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of L-Histidine, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-, methyl ester, (S)-, dihydrate?
The CAS number of L-Histidine, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-, methyl ester, (S)-, dihydrate is 128055-88-9.
What is the molecular formula of L-Histidine, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-, methyl ester, (S)-, dihydrate?
The molecular formula of L-Histidine, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-, methyl ester, (S)-, dihydrate is C13H17N5O5.
What is the molecular weight of L-Histidine, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-, methyl ester, (S)-, dihydrate?
The molecular weight of L-Histidine, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-, methyl ester, (S)-, dihydrate is 323.12296 g/mol.
Where can I buy L-Histidine, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-, methyl ester, (S)-, dihydrate?
You can request a quote for L-Histidine, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-, methyl ester, (S)-, dihydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for L-Histidine, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-, methyl ester, (S)-, dihydrate?
Yes, CoreyChem provides custom synthesis services for L-Histidine, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-, methyl ester, (S)-, dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.