alpha-Glutamylthymine
TL;DR: alpha-Glutamylthymine (CAS 76567-27-6) is a chemical compound with molecular formula C10H13N3O6 and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]pentanedioic acid
Also Known As: alpha-Glutamylthymine, (2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]pentanedioic acid, L-Glutamic acid, N-((1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)methyl)-, N-[(2,4-Dihydroxypyrimidin-5-yl)methyl]glutamic acid, N-[(2,4-Dihydroxypyrimidin-5-yl)methyl]-L-glutamic acid
| Molecular Formula | C10H13N3O6 |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | -3.8 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 271.08044 |
| Heavy Atoms | 19 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 76567-27-6 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)CN[C@@H](CCC(=O)O)C(=O)O |
| InChIKey | XHGJNVZDOQDSDY-LURJTMIESA-N |
Product Overview
alpha-Glutamylthymine (CAS 76567-27-6), with molecular formula C10H13N3O6 and molecular weight 271.08 g/mol. IUPAC: (2S)-2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]pentanedioic acid.
Chemical Property Profile of alpha-Glutamylthymine
Property Insights of alpha-Glutamylthymine
The XLogP value of -3.8 indicates that alpha-Glutamylthymine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.0 Ų indicates high polarity, suggesting alpha-Glutamylthymine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha-Glutamylthymine has 5 hydrogen bond donor(s) and 7 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 alpha-Glutamylthymine?
The CAS number of alpha-Glutamylthymine is 76567-27-6.
What is the molecular formula of alpha-Glutamylthymine?
The molecular formula of alpha-Glutamylthymine is C10H13N3O6.
What is the molecular weight of alpha-Glutamylthymine?
The molecular weight of alpha-Glutamylthymine is 271.08 g/mol.
Where can I buy alpha-Glutamylthymine?
You can request a quote for alpha-Glutamylthymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Glutamylthymine?
Yes, KEHONG BIO provides custom synthesis services for alpha-Glutamylthymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.