AQ-088/41469751
TL;DR: AQ-088/41469751 (CAS 530146-56-6) is a chemical compound with molecular formula C22H29N7O2S2 and molecular weight 487.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanyl-N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine
Also Known As: AQ-088/41469751, 2-(butylsulfanyl)-N-[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazol-6-amine, 2-(butylthio)-N-(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine, 2-(butylsulfanyl)-N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine, 2-(butylthio)-N-(4,6-dimorpholino-1,3,5-triazin-2-yl)benzo[d]thiazol-6-amine
| Molecular Formula | C22H29N7O2S2 |
|---|---|
| Molecular Weight | 487.18 g/mol |
| LogP | 3.7903 |
| Topological Polar Surface Area | 88.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.1824 |
| Heavy Atoms | 33 |
| Complexity | 1031.829 |
Chemical Identifiers
| CAS Number | 530146-56-6 |
|---|---|
| SMILES | CCCCSC1=NC2=C(S1)C=C(C=C2)NC3=NC(=NC(=N3)N4CCOCC4)N5CCOCC5 |
Product Overview
AQ-088/41469751 (CAS 530146-56-6), with molecular formula C22H29N7O2S2 and molecular weight 487.18 g/mol. IUPAC: 2-butylsulfanyl-N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazol-6-amine.
Chemical Property Profile of AQ-088/41469751
Property Insights of AQ-088/41469751
The XLogP value of 3.7903 indicates that AQ-088/41469751 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.53 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41469751. Following Lipinski's Rule of Five, AQ-088/41469751 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AQ-088/41469751?
The CAS number of AQ-088/41469751 is 530146-56-6.
What is the molecular formula of AQ-088/41469751?
The molecular formula of AQ-088/41469751 is C22H29N7O2S2.
What is the molecular weight of AQ-088/41469751?
The molecular weight of AQ-088/41469751 is 487.18 g/mol.
Where can I buy AQ-088/41469751?
You can request a quote for AQ-088/41469751 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41469751?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41469751 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.