A4099/0174767
TL;DR: A4099/0174767 (CAS 893770-16-6) is a chemical compound with molecular formula C19H16FN5O2 and molecular weight 365.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluorophenyl)methyl]-7-(4-methoxyphenoxy)-5-methyltriazolo[4,5-d]pyrimidine
Also Known As: A4099/0174767, 3-(4-fluorobenzyl)-7-(4-methoxyphenoxy)-5-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine, 3-[(4-Fluorophenyl)methyl]-7-(4-methoxyphenoxy)-5-methyl-3H-1,2,3-triazolo[4,5-d]pyrimidine, 3-[(4-fluorophenyl)methyl]-7-(4-methoxyphenoxy)-5-methyltriazolo[4,5-d]pyrimidine, 3-((4-Fluorophenyl)methyl)-7-(4-methoxyphenoxy)-5-methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine
| Molecular Formula | C19H16FN5O2 |
|---|---|
| Molecular Weight | 365.13 g/mol |
| LogP | 3.51802 |
| Topological Polar Surface Area | 74.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.1288 |
| Heavy Atoms | 27 |
| Complexity | 1077.9094 |
Chemical Identifiers
| CAS Number | 893770-16-6 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)OC3=CC=C(C=C3)OC)N=NN2CC4=CC=C(C=C4)F |
Product Overview
A4099/0174767 (CAS 893770-16-6), with molecular formula C19H16FN5O2 and molecular weight 365.13 g/mol. IUPAC: 3-[(4-fluorophenyl)methyl]-7-(4-methoxyphenoxy)-5-methyltriazolo[4,5-d]pyrimidine.
Chemical Property Profile of A4099/0174767
Property Insights of A4099/0174767
The XLogP value of 3.51802 indicates that A4099/0174767 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.95 Ų falls within the moderate polarity range, balancing permeability and solubility for A4099/0174767. Following Lipinski's Rule of Five, A4099/0174767 has 0 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 A4099/0174767?
The CAS number of A4099/0174767 is 893770-16-6.
What is the molecular formula of A4099/0174767?
The molecular formula of A4099/0174767 is C19H16FN5O2.
What is the molecular weight of A4099/0174767?
The molecular weight of A4099/0174767 is 365.13 g/mol.
Where can I buy A4099/0174767?
You can request a quote for A4099/0174767 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4099/0174767?
Yes, KEHONG BIO provides custom synthesis services for A4099/0174767 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.