5-(Chloromethyl)uracil
TL;DR: 5-(Chloromethyl)uracil (CAS 40645-49-6) is a chemical compound with molecular formula C5H5ClN2O2 and molecular weight 160.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(chloromethyl)-1H-pyrimidine-2,4-dione
Also Known As: 5-(Chloromethyl)uracil, 5-(chloromethyl)pyrimidine-2,4(1h,3h)-dione, 5-chloromethyluracil, 5-chloromethyl uracil, 5-(chloromethyl)-1H-pyrimidine-2,4-dione
| Molecular Formula | C5H5ClN2O2 |
|---|---|
| Molecular Weight | 160.00 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.00395 |
| Heavy Atoms | 10 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 40645-49-6 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)CCl |
| InChIKey | UCDUBKRXOPMNGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(Chloromethyl)uracil (CAS 40645-49-6), with molecular formula C5H5ClN2O2 and molecular weight 160.00 g/mol. IUPAC: 5-(chloromethyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-(Chloromethyl)uracil
Property Insights of 5-(Chloromethyl)uracil
The XLogP value of -1.2 indicates that 5-(Chloromethyl)uracil 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-(Chloromethyl)uracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Chloromethyl)uracil 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-(Chloromethyl)uracil?
The CAS number of 5-(Chloromethyl)uracil is 40645-49-6.
What is the molecular formula of 5-(Chloromethyl)uracil?
The molecular formula of 5-(Chloromethyl)uracil is C5H5ClN2O2.
What is the molecular weight of 5-(Chloromethyl)uracil?
The molecular weight of 5-(Chloromethyl)uracil is 160.00 g/mol.
Where can I buy 5-(Chloromethyl)uracil?
You can request a quote for 5-(Chloromethyl)uracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Chloromethyl)uracil?
Yes, KEHONG BIO provides custom synthesis services for 5-(Chloromethyl)uracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.