RefChem:484136
TL;DR: RefChem:484136 (CAS 34771-66-9) is a chemical compound with molecular formula C21H14ClN5O2 and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloropyrazol-1-yl)-7-(4-methyl-5-phenyltriazol-2-yl)chromen-2-one
Also Known As: 5-chloro-2-phenyl-pyrimidine, NIOSH/DJ2979180, 3-(4-Chloropyrazol-1-yl)-7-(4-methyl-5-phenyl-1,2,3-triazol-2-yl)coumarin, 2H-1-Benzopyran-2-one, 3-(4-chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-, 3-(4-Chloro-1H-pyrazol-1-yl)-7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-2H-chromen-2-one
| Molecular Formula | C21H14ClN5O2 |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.0836 |
| Heavy Atoms | 29 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 34771-66-9 |
|---|---|
| SMILES | CC1=NN(N=C1C2=CC=CC=C2)C3=CC4=C(C=C3)C=C(C(=O)O4)N5C=C(C=N5)Cl |
| InChIKey | XPCRQHRLGGKEPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:484136 (CAS 34771-66-9), with molecular formula C21H14ClN5O2 and molecular weight 403.08 g/mol. IUPAC: 3-(4-chloropyrazol-1-yl)-7-(4-methyl-5-phenyltriazol-2-yl)chromen-2-one.
Chemical Property Profile of RefChem:484136
Property Insights of RefChem:484136
The XLogP value of 4.8 indicates that RefChem:484136 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:484136. Following Lipinski's Rule of Five, RefChem:484136 has 0 hydrogen bond donor(s) and 5 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 RefChem:484136?
The CAS number of RefChem:484136 is 34771-66-9.
What is the molecular formula of RefChem:484136?
The molecular formula of RefChem:484136 is C21H14ClN5O2.
What is the molecular weight of RefChem:484136?
The molecular weight of RefChem:484136 is 403.08 g/mol.
Where can I buy RefChem:484136?
You can request a quote for RefChem:484136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:484136?
Yes, KEHONG BIO provides custom synthesis services for RefChem:484136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.