AQ-750/42052756
TL;DR: AQ-750/42052756 (CAS 667913-65-7) is a chemical compound with molecular formula C16H15Cl2N5OS and molecular weight 395.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
Also Known As: AQ-750/42052756, 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone, F3285-1112, 2-((5-amino-1H-1,2,4-triazol-3-yl)thio)-1-(1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone, 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one
| Molecular Formula | C16H15Cl2N5OS |
|---|---|
| Molecular Weight | 395.04 g/mol |
| LogP | 4.07624 |
| Topological Polar Surface Area | 89.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.03745 |
| Heavy Atoms | 25 |
| Complexity | 950.1508 |
Chemical Identifiers
| CAS Number | 667913-65-7 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=C(C=CC(=C2)Cl)Cl)C)C(=O)CSC3=NNC(=N3)N |
Product Overview
AQ-750/42052756 (CAS 667913-65-7), with molecular formula C16H15Cl2N5OS and molecular weight 395.04 g/mol. IUPAC: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone.
Chemical Property Profile of AQ-750/42052756
Property Insights of AQ-750/42052756
The XLogP value of 4.07624 indicates that AQ-750/42052756 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-750/42052756. Following Lipinski's Rule of Five, AQ-750/42052756 has 2 hydrogen bond donor(s) and 5 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-750/42052756?
The CAS number of AQ-750/42052756 is 667913-65-7.
What is the molecular formula of AQ-750/42052756?
The molecular formula of AQ-750/42052756 is C16H15Cl2N5OS.
What is the molecular weight of AQ-750/42052756?
The molecular weight of AQ-750/42052756 is 395.04 g/mol.
Where can I buy AQ-750/42052756?
You can request a quote for AQ-750/42052756 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-750/42052756?
Yes, KEHONG BIO provides custom synthesis services for AQ-750/42052756 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.