乌拉莫司汀
TL;DR: 乌拉莫司汀 (CAS 66-75-1) is a chemical compound with molecular formula C8H11Cl2N3O2 and molecular weight 251.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乌拉莫司汀
5-[bis(2-chloroethyl)amino]-1H-pyrimidine-2,4-dione
Also Known As: Uramustine, URACIL MUSTARD, Desmethyldopan, Demethyldopan, Uramustin
| Molecular Formula | C8H11Cl2N3O2 |
|---|---|
| Molecular Weight | 251.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.02283 |
| Heavy Atoms | 15 |
| Complexity | 288.0 |
| Melting Point | 206.1 °C |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 66-75-1 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)N(CCCl)CCCl |
| InChIKey | IDPUKCWIGUEADI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乌拉莫司汀 (CAS 66-75-1), with molecular formula C8H11Cl2N3O2 and molecular weight 251.02 g/mol. IUPAC: 5-[bis(2-chloroethyl)amino]-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 乌拉莫司汀
Property Insights of 乌拉莫司汀
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乌拉莫司汀. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 乌拉莫司汀. Following Lipinski's Rule of Five, 乌拉莫司汀 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 乌拉莫司汀?
The CAS number of 乌拉莫司汀 is 66-75-1.
What is the molecular formula of 乌拉莫司汀?
The molecular formula of 乌拉莫司汀 is C8H11Cl2N3O2.
What is the molecular weight of 乌拉莫司汀?
The molecular weight of 乌拉莫司汀 is 251.02 g/mol.
Where can I buy 乌拉莫司汀?
You can request a quote for 乌拉莫司汀 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乌拉莫司汀?
Yes, KEHONG BIO provides custom synthesis services for 乌拉莫司汀 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.