来曲唑
TL;DR: 来曲唑 (CAS 112809-51-5) is a chemical compound with molecular formula C17H11N5 and molecular weight 285.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
来曲唑
4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile
Also Known As: letrozole, Femara, Letrozol, piroxicam, Letoval
| Molecular Formula | C17H11N5 |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.10144 |
| Heavy Atoms | 22 |
| Complexity | 420.0 |
| Melting Point | 184-185 °C |
| Solubility | Freely soluble in dichloromethane; slightly soluble in ethanol; practically insoluble in water |
Chemical Identifiers
| CAS Number | 112809-51-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3 |
| InChIKey | HPJKCIUCZWXJDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
来曲唑 (CAS 112809-51-5), with molecular formula C17H11N5 and molecular weight 285.10 g/mol. IUPAC: 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile.
Chemical Property Profile of 来曲唑
Property Insights of 来曲唑
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 来曲唑. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 来曲唑. Following Lipinski's Rule of Five, 来曲唑 has 0 hydrogen bond donor(s) and 4 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 来曲唑?
The CAS number of 来曲唑 is 112809-51-5.
What is the molecular formula of 来曲唑?
The molecular formula of 来曲唑 is C17H11N5.
What is the molecular weight of 来曲唑?
The molecular weight of 来曲唑 is 285.10 g/mol.
Where can I buy 来曲唑?
You can request a quote for 来曲唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 来曲唑?
Yes, KEHONG BIO provides custom synthesis services for 来曲唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.