AQ-088/42181482
TL;DR: AQ-088/42181482 (CAS 392296-31-0) is a chemical compound with molecular formula C19H17BrN4O2S2 and molecular weight 476.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-[5-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: AQ-088/42181482, 2-bromo-N-(5-((2-((3,5-dimethylphenyl)amino)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide, 2-BROMO-N-[5-({[(3,5-DIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,3,4-THIADIAZOL-2-YL]BENZAMIDE, F0417-0692, 2-bromo-N-[5-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
| Molecular Formula | C19H17BrN4O2S2 |
|---|---|
| Molecular Weight | 476.00 g/mol |
| LogP | 4.90054 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.99762 |
| Heavy Atoms | 28 |
| Complexity | 1002.42316 |
Chemical Identifiers
| CAS Number | 392296-31-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3Br)C |
Product Overview
AQ-088/42181482 (CAS 392296-31-0), with molecular formula C19H17BrN4O2S2 and molecular weight 476.00 g/mol. IUPAC: 2-bromo-N-[5-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of AQ-088/42181482
Property Insights of AQ-088/42181482
The XLogP value of 4.90054 indicates that AQ-088/42181482 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-088/42181482. Following Lipinski's Rule of Five, AQ-088/42181482 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-088/42181482?
The CAS number of AQ-088/42181482 is 392296-31-0.
What is the molecular formula of AQ-088/42181482?
The molecular formula of AQ-088/42181482 is C19H17BrN4O2S2.
What is the molecular weight of AQ-088/42181482?
The molecular weight of AQ-088/42181482 is 476.00 g/mol.
Where can I buy AQ-088/42181482?
You can request a quote for AQ-088/42181482 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-088/42181482?
Yes, KEHONG BIO provides custom synthesis services for AQ-088/42181482 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.