Chloroethylaminouracil
TL;DR: Chloroethylaminouracil (CAS 520-09-2) is a chemical compound with molecular formula C9H13Cl2N3O2 and molecular weight 265.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[bis(2-chloroethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione
Also Known As: Dopan, Dopane, Chloroethylaminouracil, Elderfield pyrimidine mustard, DOPAN [MI]
| Molecular Formula | C9H13Cl2N3O2 |
|---|---|
| Molecular Weight | 265.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.03848 |
| Heavy Atoms | 16 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 520-09-2 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=O)N1)N(CCCl)CCCl |
| InChIKey | SDTHIDMOBRXVOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloroethylaminouracil (CAS 520-09-2), with molecular formula C9H13Cl2N3O2 and molecular weight 265.04 g/mol. IUPAC: 5-[bis(2-chloroethyl)amino]-6-methyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of Chloroethylaminouracil
Property Insights of Chloroethylaminouracil
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloroethylaminouracil. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Chloroethylaminouracil. Following Lipinski's Rule of Five, Chloroethylaminouracil has 2 hydrogen bond donor(s) and 3 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 Chloroethylaminouracil?
The CAS number of Chloroethylaminouracil is 520-09-2.
What is the molecular formula of Chloroethylaminouracil?
The molecular formula of Chloroethylaminouracil is C9H13Cl2N3O2.
What is the molecular weight of Chloroethylaminouracil?
The molecular weight of Chloroethylaminouracil is 265.04 g/mol.
Where can I buy Chloroethylaminouracil?
You can request a quote for Chloroethylaminouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloroethylaminouracil?
Yes, KEHONG BIO provides custom synthesis services for Chloroethylaminouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.