Willardiine
TL;DR: Willardiine (CAS 96108-98-4) is a chemical compound with molecular formula C7H9N3O4 and molecular weight 199.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
amino 3-(2,4-dioxopyrimidin-1-yl)propanoate
Also Known As: Willardiine, 1mqj, (S)-WILLARDIINE, 3-(Uracil-1-yl)-L-alanine, beta-(2,4-Dihydroxypyrimidin-1-yl)alanine
| Molecular Formula | C7H9N3O4 |
|---|---|
| Molecular Weight | 199.06 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.05931 |
| Heavy Atoms | 14 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 96108-98-4 |
|---|---|
| SMILES | C1=CN(C(=O)NC1=O)CCC(=O)ON |
| InChIKey | KCGPSMHZJWSWPT-UHFFFAOYSA-N |
Product Overview
Willardiine (CAS 96108-98-4), with molecular formula C7H9N3O4 and molecular weight 199.06 g/mol. IUPAC: amino 3-(2,4-dioxopyrimidin-1-yl)propanoate.
Chemical Property Profile of Willardiine
Property Insights of Willardiine
The XLogP value of -1.7 indicates that Willardiine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Willardiine. Following Lipinski's Rule of Five, Willardiine has 2 hydrogen bond donor(s) and 5 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 Willardiine?
The CAS number of Willardiine is 96108-98-4.
What is the molecular formula of Willardiine?
The molecular formula of Willardiine is C7H9N3O4.
What is the molecular weight of Willardiine?
The molecular weight of Willardiine is 199.06 g/mol.
Where can I buy Willardiine?
You can request a quote for Willardiine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Willardiine?
Yes, KEHONG BIO provides custom synthesis services for Willardiine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.