3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)alanine hydrate
TL;DR: 3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)alanine hydrate (CAS 1910705-67-7) is a chemical compound with molecular formula C7H11N3O5 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid;hydrate
Also Known As: willardiine hydrate, 3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)alanine hydrate, 2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid;hydrate, Pyrimidinepropionic acid, 1(2h)-,alpha-amino-3,4-dihydro-2,4-dioxo-,hydrate, 2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid hydrate
| Molecular Formula | C7H11N3O5 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | -2.8762 |
| Topological Polar Surface Area | 149.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.06987 |
| Heavy Atoms | 15 |
| Complexity | 448.42914 |
Chemical Identifiers
| CAS Number | 1910705-67-7 |
|---|---|
| SMILES | C1=CN(C(=O)NC1=O)CC(C(=O)O)N.O |
Product Overview
3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)alanine hydrate (CAS 1910705-67-7), with molecular formula C7H11N3O5 and molecular weight 217.07 g/mol. IUPAC: 2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid;hydrate.
Chemical Property Profile of 3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)alanine hydrate
Property Insights of 3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)alanine hydrate
The XLogP value of -2.8762 indicates that 3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)alanine hydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.68 Ų indicates high polarity, suggesting 3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)alanine hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)alanine hydrate has 3 hydrogen bond donor(s) and 4 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 3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)alanine hydrate?
The CAS number of 3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)alanine hydrate is 1910705-67-7.
What is the molecular formula of 3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)alanine hydrate?
The molecular formula of 3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)alanine hydrate is C7H11N3O5.
What is the molecular weight of 3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)alanine hydrate?
The molecular weight of 3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)alanine hydrate is 217.07 g/mol.
Where can I buy 3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)alanine hydrate?
You can request a quote for 3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)alanine hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)alanine hydrate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)alanine hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.