![3-(4-Bromophenyl)-6-phenacyltriazolo[4,5-d]pyrimidin-7-one structure](/static/products/893/893922-79-7.png)
3-(4-Bromophenyl)-6-phenacyltriazolo[4,5-d]pyrimidin-7-one
TL;DR: 3-(4-Bromophenyl)-6-phenacyltriazolo[4,5-d]pyrimidin-7-one (CAS 893922-79-7) is a chemical compound with molecular formula C18H12BrN5O2 and molecular weight 409.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-6-phenacyltriazolo[4,5-d]pyrimidin-7-one
Also Known As: 3-(4-bromophenyl)-6-phenacyltriazolo[4,5-d]pyrimidin-7-one, F1876-0387, 3-(4-bromophenyl)-6-(2-oxo-2-phenylethyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one, 3-(4-bromophenyl)-6-(2-oxo-2-phenylethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
| Molecular Formula | C18H12BrN5O2 |
|---|---|
| Molecular Weight | 409.02 g/mol |
| LogP | 2.6226 |
| Topological Polar Surface Area | 82.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.01743 |
| Heavy Atoms | 26 |
| Complexity | 1149.8939 |
Chemical Identifiers
| CAS Number | 893922-79-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CN2C=NC3=C(C2=O)N=NN3C4=CC=C(C=C4)Br |
Product Overview
3-(4-Bromophenyl)-6-phenacyltriazolo[4,5-d]pyrimidin-7-one (CAS 893922-79-7), with molecular formula C18H12BrN5O2 and molecular weight 409.02 g/mol. IUPAC: 3-(4-bromophenyl)-6-phenacyltriazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of 3-(4-Bromophenyl)-6-phenacyltriazolo[4,5-d]pyrimidin-7-one
Property Insights of 3-(4-Bromophenyl)-6-phenacyltriazolo[4,5-d]pyrimidin-7-one
The XLogP value of 2.6226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Bromophenyl)-6-phenacyltriazolo[4,5-d]pyrimidin-7-one. The TPSA of 82.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Bromophenyl)-6-phenacyltriazolo[4,5-d]pyrimidin-7-one. Following Lipinski's Rule of Five, 3-(4-Bromophenyl)-6-phenacyltriazolo[4,5-d]pyrimidin-7-one 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 3-(4-Bromophenyl)-6-phenacyltriazolo[4,5-d]pyrimidin-7-one?
The CAS number of 3-(4-Bromophenyl)-6-phenacyltriazolo[4,5-d]pyrimidin-7-one is 893922-79-7.
What is the molecular formula of 3-(4-Bromophenyl)-6-phenacyltriazolo[4,5-d]pyrimidin-7-one?
The molecular formula of 3-(4-Bromophenyl)-6-phenacyltriazolo[4,5-d]pyrimidin-7-one is C18H12BrN5O2.
What is the molecular weight of 3-(4-Bromophenyl)-6-phenacyltriazolo[4,5-d]pyrimidin-7-one?
The molecular weight of 3-(4-Bromophenyl)-6-phenacyltriazolo[4,5-d]pyrimidin-7-one is 409.02 g/mol.
Where can I buy 3-(4-Bromophenyl)-6-phenacyltriazolo[4,5-d]pyrimidin-7-one?
You can request a quote for 3-(4-Bromophenyl)-6-phenacyltriazolo[4,5-d]pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Bromophenyl)-6-phenacyltriazolo[4,5-d]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromophenyl)-6-phenacyltriazolo[4,5-d]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.