5-Chlorouracil
TL;DR: 5-Chlorouracil (CAS 1820-81-1) is a chemical compound with molecular formula C4H3ClN2O2 and molecular weight 145.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1H-pyrimidine-2,4-dione
Also Known As: 5-CHLOROURACIL, 5-chloro-uracil, Uracil, 5-chloro-, 5-Chloro-1H-pyrimidine-2,4-dione, 5-chloropyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C4H3ClN2O2 |
|---|---|
| Molecular Weight | 145.99 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.98831 |
| Heavy Atoms | 9 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 1820-81-1 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)Cl |
| InChIKey | ZFTBZKVVGZNMJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chlorouracil (CAS 1820-81-1), with molecular formula C4H3ClN2O2 and molecular weight 145.99 g/mol. IUPAC: 5-chloro-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-Chlorouracil
Property Insights of 5-Chlorouracil
The XLogP value of -0.3 indicates that 5-Chlorouracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.2 Ų, 5-Chlorouracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chlorouracil has 2 hydrogen bond donor(s) and 2 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-Chlorouracil?
The CAS number of 5-Chlorouracil is 1820-81-1.
What is the molecular formula of 5-Chlorouracil?
The molecular formula of 5-Chlorouracil is C4H3ClN2O2.
What is the molecular weight of 5-Chlorouracil?
The molecular weight of 5-Chlorouracil is 145.99 g/mol.
Where can I buy 5-Chlorouracil?
You can request a quote for 5-Chlorouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chlorouracil?
Yes, KEHONG BIO provides custom synthesis services for 5-Chlorouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.