AQ-088/41136899
TL;DR: AQ-088/41136899 (CAS 488858-67-9) is a chemical compound with molecular formula C23H25N3O3S2 and molecular weight 455.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetylphenyl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]butanamide
Also Known As: AQ-088/41136899, N-(4-acetylphenyl)-2-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanamide, N-(4-acetylphenyl)-2-((3-methyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)butanamide, N-(4-acetylphenyl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]butanamide
| Molecular Formula | C23H25N3O3S2 |
|---|---|
| Molecular Weight | 455.13 g/mol |
| LogP | 4.5858 |
| Topological Polar Surface Area | 81.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.13373 |
| Heavy Atoms | 31 |
| Complexity | 1211.5151 |
Chemical Identifiers
| CAS Number | 488858-67-9 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C |
Product Overview
AQ-088/41136899 (CAS 488858-67-9), with molecular formula C23H25N3O3S2 and molecular weight 455.13 g/mol. IUPAC: N-(4-acetylphenyl)-2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]butanamide.
Chemical Property Profile of AQ-088/41136899
Property Insights of AQ-088/41136899
The XLogP value of 4.5858 indicates that AQ-088/41136899 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/41136899. Following Lipinski's Rule of Five, AQ-088/41136899 has 1 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-088/41136899?
The CAS number of AQ-088/41136899 is 488858-67-9.
What is the molecular formula of AQ-088/41136899?
The molecular formula of AQ-088/41136899 is C23H25N3O3S2.
What is the molecular weight of AQ-088/41136899?
The molecular weight of AQ-088/41136899 is 455.13 g/mol.
Where can I buy AQ-088/41136899?
You can request a quote for AQ-088/41136899 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/41136899?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/41136899 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.