AQ-088/41966930
TL;DR: AQ-088/41966930 (CAS 724450-24-2) is a chemical compound with molecular formula C18H14BrN7OS3 and molecular weight 518.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(3-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
Also Known As: AQ-088/41966930, N-{5-[(3-bromobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide, N-[5-[[(3-Bromophenyl)methyl]thio]-1,3,4-thiadiazol-2-yl]-2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetamide, N-[5-[(3-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide, N-(5-{[(3-Bromophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
| Molecular Formula | C18H14BrN7OS3 |
|---|---|
| Molecular Weight | 518.96 g/mol |
| LogP | 4.2994 |
| Topological Polar Surface Area | 98.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 518.9605 |
| Heavy Atoms | 30 |
| Complexity | 1135.5376 |
Chemical Identifiers
| CAS Number | 724450-24-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=NN=C(S3)SCC4=CC(=CC=C4)Br |
Product Overview
AQ-088/41966930 (CAS 724450-24-2), with molecular formula C18H14BrN7OS3 and molecular weight 518.96 g/mol. IUPAC: N-[5-[(3-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
Chemical Property Profile of AQ-088/41966930
Property Insights of AQ-088/41966930
The XLogP value of 4.2994 indicates that AQ-088/41966930 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41966930. Following Lipinski's Rule of Five, AQ-088/41966930 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AQ-088/41966930?
The CAS number of AQ-088/41966930 is 724450-24-2.
What is the molecular formula of AQ-088/41966930?
The molecular formula of AQ-088/41966930 is C18H14BrN7OS3.
What is the molecular weight of AQ-088/41966930?
The molecular weight of AQ-088/41966930 is 518.96 g/mol.
Where can I buy AQ-088/41966930?
You can request a quote for AQ-088/41966930 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41966930?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41966930 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.