Iodo-Willardiine
TL;DR: Iodo-Willardiine (CAS 140187-25-3) is a chemical compound with molecular formula C7H8IN3O4 and molecular weight 324.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoic acid
Also Known As: IODO-WILLARDIINE, 5-iodowillardiine, (S)-(-)-5-IODOWILLARDIINE, S-5-Iodowillardiine, 5 Iodowillardine
| Molecular Formula | C7H8IN3O4 |
|---|---|
| Molecular Weight | 324.96 g/mol |
| LogP | -3.7 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.95596 |
| Heavy Atoms | 15 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 140187-25-3 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)I |
| InChIKey | AXXYLTBQIQBTES-BYPYZUCNSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Iodo-Willardiine (CAS 140187-25-3), with molecular formula C7H8IN3O4 and molecular weight 324.96 g/mol. IUPAC: (2S)-2-amino-3-(5-iodo-2,4-dioxopyrimidin-1-yl)propanoic acid.
Chemical Property Profile of Iodo-Willardiine
Property Insights of Iodo-Willardiine
The XLogP value of -3.7 indicates that Iodo-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 Iodo-Willardiine. Following Lipinski's Rule of Five, Iodo-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 Iodo-Willardiine?
The CAS number of Iodo-Willardiine is 140187-25-3.
What is the molecular formula of Iodo-Willardiine?
The molecular formula of Iodo-Willardiine is C7H8IN3O4.
What is the molecular weight of Iodo-Willardiine?
The molecular weight of Iodo-Willardiine is 324.96 g/mol.
Where can I buy Iodo-Willardiine?
You can request a quote for Iodo-Willardiine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iodo-Willardiine?
Yes, KEHONG BIO provides custom synthesis services for Iodo-Willardiine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.