AQ-088/42013798
TL;DR: AQ-088/42013798 (CAS 724451-03-0) is a chemical compound with molecular formula C30H23Cl2N5O2S and molecular weight 587.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[4-benzyl-5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide
Also Known As: AQ-088/42013798, N-[4-[4-benzyl-5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide, N-{4-[4-benzyl-5-({2-[(4-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]phenyl}-2-chlorobenzamide, N-(4-(4-Benzyl-5-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)phenyl)-2-chlorobenzamide, N-[4-(4-benzyl-5-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]-2-chlorobenzamide
| Molecular Formula | C30H23Cl2N5O2S |
|---|---|
| Molecular Weight | 587.10 g/mol |
| LogP | 7.2833 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 587.095 |
| Heavy Atoms | 40 |
| Complexity | 1624.7678 |
Chemical Identifiers
| CAS Number | 724451-03-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5Cl |
Product Overview
AQ-088/42013798 (CAS 724451-03-0), with molecular formula C30H23Cl2N5O2S and molecular weight 587.10 g/mol. IUPAC: N-[4-[4-benzyl-5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide.
Chemical Property Profile of AQ-088/42013798
Property Insights of AQ-088/42013798
The XLogP value of 7.2833 indicates that AQ-088/42013798 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/42013798. Following Lipinski's Rule of Five, AQ-088/42013798 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AQ-088/42013798?
The CAS number of AQ-088/42013798 is 724451-03-0.
What is the molecular formula of AQ-088/42013798?
The molecular formula of AQ-088/42013798 is C30H23Cl2N5O2S.
What is the molecular weight of AQ-088/42013798?
The molecular weight of AQ-088/42013798 is 587.10 g/mol.
Where can I buy AQ-088/42013798?
You can request a quote for AQ-088/42013798 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/42013798?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/42013798 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.