AO-081/13877076
TL;DR: AO-081/13877076 (CAS 354129-41-2) is a chemical compound with molecular formula C15H16BrN3O3S2 and molecular weight 428.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-bromo-N-methylsulfonylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
Also Known As: AO-081/13877076, 2-(2-bromo-N-methylsulfonylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide, N-(2-bromophenyl)-N-(2-oxo-2-{2-[1-(2-thienyl)ethylidene]hydrazino}ethyl)methanesulfonamide, N-(2-bromophenyl)-N-(2-oxo-2-{(2E)-2-[1-(thiophen-2-yl)ethylidene]hydrazinyl}ethyl)methanesulfonamide (non-preferred name), N-(2-bromophenyl)-N-(2-oxo-2-{2-[1-(2-thienyl)ethylidene]hydrazino}ethyl)methanesulfonamide (non-preferred name)
| Molecular Formula | C15H16BrN3O3S2 |
|---|---|
| Molecular Weight | 428.98 g/mol |
| LogP | 2.817 |
| Topological Polar Surface Area | 78.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.98166 |
| Heavy Atoms | 24 |
| Complexity | 848.6091 |
Chemical Identifiers
| CAS Number | 354129-41-2 |
|---|---|
| SMILES | C/C(=N\NC(=O)CN(C1=CC=CC=C1Br)S(=O)(=O)C)/C2=CC=CS2 |
Product Overview
AO-081/13877076 (CAS 354129-41-2), with molecular formula C15H16BrN3O3S2 and molecular weight 428.98 g/mol. IUPAC: 2-(2-bromo-N-methylsulfonylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide.
Chemical Property Profile of AO-081/13877076
Property Insights of AO-081/13877076
The XLogP value of 2.817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/13877076. The TPSA of 78.84 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/13877076. Following Lipinski's Rule of Five, AO-081/13877076 has 1 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 AO-081/13877076?
The CAS number of AO-081/13877076 is 354129-41-2.
What is the molecular formula of AO-081/13877076?
The molecular formula of AO-081/13877076 is C15H16BrN3O3S2.
What is the molecular weight of AO-081/13877076?
The molecular weight of AO-081/13877076 is 428.98 g/mol.
Where can I buy AO-081/13877076?
You can request a quote for AO-081/13877076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/13877076?
Yes, KEHONG BIO provides custom synthesis services for AO-081/13877076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.