AO-476/43380446
TL;DR: AO-476/43380446 (CAS 722456-29-3) is a chemical compound with molecular formula C25H17ClN8S and molecular weight 496.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methyl]-7-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]triazolo[4,5-d]pyrimidine
Also Known As: AO-476/43380446, 3-(2-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl 4,5-diphenyl-4H-1,2,4-triazol-3-yl sulfide, 3-[(2-chlorophenyl)methyl]-7-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]triazolo[4,5-d]pyrimidine
| Molecular Formula | C25H17ClN8S |
|---|---|
| Molecular Weight | 496.10 g/mol |
| LogP | 5.3219 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.09854 |
| Heavy Atoms | 35 |
| Complexity | 1615.2633 |
Chemical Identifiers
| CAS Number | 722456-29-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SC4=NC=NC5=C4N=NN5CC6=CC=CC=C6Cl |
Product Overview
AO-476/43380446 (CAS 722456-29-3), with molecular formula C25H17ClN8S and molecular weight 496.10 g/mol. IUPAC: 3-[(2-chlorophenyl)methyl]-7-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]triazolo[4,5-d]pyrimidine.
Chemical Property Profile of AO-476/43380446
Property Insights of AO-476/43380446
The XLogP value of 5.3219 indicates that AO-476/43380446 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-476/43380446. Following Lipinski's Rule of Five, AO-476/43380446 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-476/43380446?
The CAS number of AO-476/43380446 is 722456-29-3.
What is the molecular formula of AO-476/43380446?
The molecular formula of AO-476/43380446 is C25H17ClN8S.
What is the molecular weight of AO-476/43380446?
The molecular weight of AO-476/43380446 is 496.10 g/mol.
Where can I buy AO-476/43380446?
You can request a quote for AO-476/43380446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-476/43380446?
Yes, KEHONG BIO provides custom synthesis services for AO-476/43380446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.