AO-080/41811467
TL;DR: AO-080/41811467 (CAS 957487-64-8) is a chemical compound with molecular formula C29H28N6O2S and molecular weight 524.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: AO-080/41811467, N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C29H28N6O2S |
|---|---|
| Molecular Weight | 524.20 g/mol |
| LogP | 5.53534 |
| Topological Polar Surface Area | 86.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 524.19946 |
| Heavy Atoms | 38 |
| Complexity | 1529.1104 |
Chemical Identifiers
| CAS Number | 957487-64-8 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)OC |
Product Overview
AO-080/41811467 (CAS 957487-64-8), with molecular formula C29H28N6O2S and molecular weight 524.20 g/mol. IUPAC: N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of AO-080/41811467
Property Insights of AO-080/41811467
The XLogP value of 5.53534 indicates that AO-080/41811467 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.86 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/41811467. Following Lipinski's Rule of Five, AO-080/41811467 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-080/41811467?
The CAS number of AO-080/41811467 is 957487-64-8.
What is the molecular formula of AO-080/41811467?
The molecular formula of AO-080/41811467 is C29H28N6O2S.
What is the molecular weight of AO-080/41811467?
The molecular weight of AO-080/41811467 is 524.20 g/mol.
Where can I buy AO-080/41811467?
You can request a quote for AO-080/41811467 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/41811467?
Yes, KEHONG BIO provides custom synthesis services for AO-080/41811467 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.