丹曲林
TL;DR: 丹曲林 (CAS 7261-97-4) is a chemical compound with molecular formula C14H10N4O5 and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丹曲林
1-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
Also Known As: dantrolene, Dantroleno, Dantrolenum, Spectrum2_001180, Spectrum3_001567
| Molecular Formula | C14H10N4O5 |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.06512 |
| Heavy Atoms | 23 |
| Complexity | 524.0 |
| Melting Point | 279 - 280 °C |
| Solubility | 8.05e-02 g/L |
Chemical Identifiers
| CAS Number | 7261-97-4 |
|---|---|
| SMILES | C1C(=O)NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | OZOMQRBLCMDCEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丹曲林 (CAS 7261-97-4), with molecular formula C14H10N4O5 and molecular weight 314.07 g/mol. IUPAC: 1-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione.
Chemical Property Profile of 丹曲林
Property Insights of 丹曲林
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丹曲林. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 丹曲林. Following Lipinski's Rule of Five, 單挫林 has 1 hydrogen bond donor(s) and 6 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 單挫林?
The CAS number of 單挫林 is 7261-97-4.
What is the molecular formula of 單挫林?
The molecular formula of 單挫林 is C14H10N4O5.
What is the molecular weight of 單挫林?
The molecular weight of 單挫林 is 314.07 g/mol.
Where can I buy 單挫林?
You can request a quote for 單挫林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 單挫林?
Yes, KEHONG BIO provides custom synthesis services for 單挫林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.