AO-080/41078638
TL;DR: AO-080/41078638 (CAS 497837-79-3) is a chemical compound with molecular formula C20H21Cl2N5O2S and molecular weight 465.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butoxyphenyl)acetamide
Also Known As: AO-080/41078638, 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butoxyphenyl)acetamide, 2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-butoxyphenyl)acetamide
| Molecular Formula | C20H21Cl2N5O2S |
|---|---|
| Molecular Weight | 465.08 g/mol |
| LogP | 4.8754 |
| Topological Polar Surface Area | 95.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 465.0793 |
| Heavy Atoms | 30 |
| Complexity | 1010.93146 |
Chemical Identifiers
| CAS Number | 497837-79-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
AO-080/41078638 (CAS 497837-79-3), with molecular formula C20H21Cl2N5O2S and molecular weight 465.08 g/mol. IUPAC: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butoxyphenyl)acetamide.
Chemical Property Profile of AO-080/41078638
Property Insights of AO-080/41078638
The XLogP value of 4.8754 indicates that AO-080/41078638 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/41078638. Following Lipinski's Rule of Five, AO-080/41078638 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 AO-080/41078638?
The CAS number of AO-080/41078638 is 497837-79-3.
What is the molecular formula of AO-080/41078638?
The molecular formula of AO-080/41078638 is C20H21Cl2N5O2S.
What is the molecular weight of AO-080/41078638?
The molecular weight of AO-080/41078638 is 465.08 g/mol.
Where can I buy AO-080/41078638?
You can request a quote for AO-080/41078638 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/41078638?
Yes, KEHONG BIO provides custom synthesis services for AO-080/41078638 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.