5-氨基巴比妥酸
TL;DR: 5-氨基巴比妥酸 (CAS 118-78-5) is a chemical compound with molecular formula C4H5N3O3 and molecular weight 143.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氨基巴比妥酸
5-amino-1,3-diazinane-2,4,6-trione
Also Known As: Uramil, Murexan, Dialuramide, 5-Aminobarbituric acid, Dialuramid
| Molecular Formula | C4H5N3O3 |
|---|---|
| Molecular Weight | 143.03 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 143.0331 |
| Heavy Atoms | 10 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 118-78-5 |
|---|---|
| SMILES | C1(C(=O)NC(=O)NC1=O)N |
| InChIKey | PSQZLWHRJMYZHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氨基巴比妥酸 (CAS 118-78-5), with molecular formula C4H5N3O3 and molecular weight 143.03 g/mol. IUPAC: 5-amino-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-氨基巴比妥酸
Property Insights of 5-氨基巴比妥酸
The XLogP value of -2.1 indicates that 5-氨基巴比妥酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-氨基巴比妥酸. Following Lipinski's Rule of Five, 5-氨基巴比妥酸 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 5-氨基巴比妥酸?
The CAS number of 5-氨基巴比妥酸 is 118-78-5.
What is the molecular formula of 5-氨基巴比妥酸?
The molecular formula of 5-氨基巴比妥酸 is C4H5N3O3.
What is the molecular weight of 5-氨基巴比妥酸?
The molecular weight of 5-氨基巴比妥酸 is 143.03 g/mol.
Where can I buy 5-氨基巴比妥酸?
You can request a quote for 5-氨基巴比妥酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氨基巴比妥酸?
Yes, KEHONG BIO provides custom synthesis services for 5-氨基巴比妥酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.