AQ-088/42181588
TL;DR: AQ-088/42181588 (CAS 694487-98-4) is a chemical compound with molecular formula C24H20ClN3O3S2 and molecular weight 497.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide
Also Known As: AQ-088/42181588, 2-chloro-N-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide, 2-chloro-N-(2-{[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
| Molecular Formula | C24H20ClN3O3S2 |
|---|---|
| Molecular Weight | 497.06 g/mol |
| LogP | 6.3315 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 497.06348 |
| Heavy Atoms | 33 |
| Complexity | 1309.114 |
Chemical Identifiers
| CAS Number | 694487-98-4 |
|---|---|
| SMILES | CCOC1=CC=CC=C1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl |
Product Overview
AQ-088/42181588 (CAS 694487-98-4), with molecular formula C24H20ClN3O3S2 and molecular weight 497.06 g/mol. IUPAC: 2-chloro-N-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide.
Chemical Property Profile of AQ-088/42181588
Property Insights of AQ-088/42181588
The XLogP value of 6.3315 indicates that AQ-088/42181588 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/42181588. Following Lipinski's Rule of Five, AQ-088/42181588 has 2 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 AQ-088/42181588?
The CAS number of AQ-088/42181588 is 694487-98-4.
What is the molecular formula of AQ-088/42181588?
The molecular formula of AQ-088/42181588 is C24H20ClN3O3S2.
What is the molecular weight of AQ-088/42181588?
The molecular weight of AQ-088/42181588 is 497.06 g/mol.
Where can I buy AQ-088/42181588?
You can request a quote for AQ-088/42181588 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/42181588?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/42181588 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.