AQ-088/41137678
TL;DR: AQ-088/41137678 (CAS 497865-36-8) is a chemical compound with molecular formula C17H17BrN4O2S and molecular weight 420.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanamide
Also Known As: AQ-088/41137678, N-(4-bromophenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanamide, N-(4-bromophenyl)-2-((5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)butanamide, N-(4-bromophenyl)-2-{[5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}butanamide, N-(4-bromophenyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}butanamide
| Molecular Formula | C17H17BrN4O2S |
|---|---|
| Molecular Weight | 420.03 g/mol |
| LogP | 4.347 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.02557 |
| Heavy Atoms | 25 |
| Complexity | 846.17236 |
Chemical Identifiers
| CAS Number | 497865-36-8 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2C)C3=CC=CO3 |
Product Overview
AQ-088/41137678 (CAS 497865-36-8), with molecular formula C17H17BrN4O2S and molecular weight 420.03 g/mol. IUPAC: N-(4-bromophenyl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanamide.
Chemical Property Profile of AQ-088/41137678
Property Insights of AQ-088/41137678
The XLogP value of 4.347 indicates that AQ-088/41137678 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.95 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41137678. Following Lipinski's Rule of Five, AQ-088/41137678 has 1 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 AQ-088/41137678?
The CAS number of AQ-088/41137678 is 497865-36-8.
What is the molecular formula of AQ-088/41137678?
The molecular formula of AQ-088/41137678 is C17H17BrN4O2S.
What is the molecular weight of AQ-088/41137678?
The molecular weight of AQ-088/41137678 is 420.03 g/mol.
Where can I buy AQ-088/41137678?
You can request a quote for AQ-088/41137678 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41137678?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41137678 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.