AQ-088/41086033
TL;DR: AQ-088/41086033 (CAS 532948-13-3) is a chemical compound with molecular formula C20H21N3O3S2 and molecular weight 415.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide
Also Known As: AQ-088/41086033, N-[2-({2-[(4-methoxybenzyl)amino]-2-oxoethyl}sulfanyl)-1,3-benzothiazol-6-yl]propanamide, N-[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide, N-(2-((2-((4-methoxybenzyl)amino)-2-oxoethyl)thio)benzo[d]thiazol-6-yl)propionamide
| Molecular Formula | C20H21N3O3S2 |
|---|---|
| Molecular Weight | 415.10 g/mol |
| LogP | 4.0619 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.10245 |
| Heavy Atoms | 28 |
| Complexity | 970.4913 |
Chemical Identifiers
| CAS Number | 532948-13-3 |
|---|---|
| SMILES | CCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NCC3=CC=C(C=C3)OC |
Product Overview
AQ-088/41086033 (CAS 532948-13-3), with molecular formula C20H21N3O3S2 and molecular weight 415.10 g/mol. IUPAC: N-[2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]propanamide.
Chemical Property Profile of AQ-088/41086033
Property Insights of AQ-088/41086033
The XLogP value of 4.0619 indicates that AQ-088/41086033 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-088/41086033. Following Lipinski's Rule of Five, AQ-088/41086033 has 2 hydrogen bond donor(s) and 6 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-088/41086033?
The CAS number of AQ-088/41086033 is 532948-13-3.
What is the molecular formula of AQ-088/41086033?
The molecular formula of AQ-088/41086033 is C20H21N3O3S2.
What is the molecular weight of AQ-088/41086033?
The molecular weight of AQ-088/41086033 is 415.10 g/mol.
Where can I buy AQ-088/41086033?
You can request a quote for AQ-088/41086033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41086033?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41086033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.