DL-Willardiine
TL;DR: DL-Willardiine (CAS 19772-76-0) 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.
2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
Also Known As: DL-Willardiine, Willardiine, (+-)-Willardiine, 1-uracilylalanine, S(-)-Willardiine
| Molecular Formula | C7H9N3O4 |
|---|---|
| Molecular Weight | 199.06 g/mol |
| LogP | -4.4 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.05931 |
| Heavy Atoms | 14 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 19772-76-0 |
|---|---|
| SMILES | C1=CN(C(=O)NC1=O)CC(C(=O)O)N |
| InChIKey | FACUYWPMDKTVFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
DL-Willardiine (CAS 19772-76-0), with molecular formula C7H9N3O4 and molecular weight 199.06 g/mol. IUPAC: 2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid.
Chemical Property Profile of DL-Willardiine
Property Insights of DL-Willardiine
The XLogP value of -4.4 indicates that DL-Willardiine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for DL-Willardiine. Following Lipinski's Rule of Five, DL-Willardiine has 3 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 DL-Willardiine?
The CAS number of DL-Willardiine is 19772-76-0.
What is the molecular formula of DL-Willardiine?
The molecular formula of DL-Willardiine is C7H9N3O4.
What is the molecular weight of DL-Willardiine?
The molecular weight of DL-Willardiine is 199.06 g/mol.
Where can I buy DL-Willardiine?
You can request a quote for DL-Willardiine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DL-Willardiine?
Yes, KEHONG BIO provides custom synthesis services for DL-Willardiine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.