AO-081/42095792
TL;DR: AO-081/42095792 (CAS 708237-34-7) is a chemical compound with molecular formula C16H17Cl2NO2S2 and molecular weight 389.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
Also Known As: AO-081/42095792, 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide, 2-[(2,6-dichlorobenzyl)sulfanyl]-N-{2-[(2-furylmethyl)sulfanyl]ethyl}acetamide, 2-[(2,6-dichlorobenzyl)sulfanyl]-N-{2-[(furan-2-ylmethyl)sulfanyl]ethyl}acetamide
| Molecular Formula | C16H17Cl2NO2S2 |
|---|---|
| Molecular Weight | 389.01 g/mol |
| LogP | 4.8692 |
| Topological Polar Surface Area | 42.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 389.00778 |
| Heavy Atoms | 23 |
| Complexity | 600.2977 |
Chemical Identifiers
| CAS Number | 708237-34-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CSCC(=O)NCCSCC2=CC=CO2)Cl |
Product Overview
AO-081/42095792 (CAS 708237-34-7), with molecular formula C16H17Cl2NO2S2 and molecular weight 389.01 g/mol. IUPAC: 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide.
Chemical Property Profile of AO-081/42095792
Property Insights of AO-081/42095792
The XLogP value of 4.8692 indicates that AO-081/42095792 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.24 Ų, AO-081/42095792 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/42095792 has 1 hydrogen bond donor(s) and 4 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 AO-081/42095792?
The CAS number of AO-081/42095792 is 708237-34-7.
What is the molecular formula of AO-081/42095792?
The molecular formula of AO-081/42095792 is C16H17Cl2NO2S2.
What is the molecular weight of AO-081/42095792?
The molecular weight of AO-081/42095792 is 389.01 g/mol.
Where can I buy AO-081/42095792?
You can request a quote for AO-081/42095792 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/42095792?
Yes, KEHONG BIO provides custom synthesis services for AO-081/42095792 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.