AO-081/41133147
TL;DR: AO-081/41133147 (CAS 593255-82-4) is a chemical compound with molecular formula C22H25ClFN3O5S and molecular weight 497.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetyl]piperazine-1-carboxylate
Also Known As: AO-081/41133147, ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-(2-fluorobenzyl)glycyl}piperazine-1-carboxylate, Ethyl 4-[2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetyl]piperazine-1-carboxylate, ethyl 4-(2-(4-chloro-N-(2-fluorobenzyl)phenylsulfonamido)acetyl)piperazine-1-carboxylate, ethyl 4-{[[(4-chlorophenyl)sulfonyl](2-fluorobenzyl)amino]acetyl}piperazine-1-carboxylate
| Molecular Formula | C22H25ClFN3O5S |
|---|---|
| Molecular Weight | 497.12 g/mol |
| LogP | 2.9707 |
| Topological Polar Surface Area | 87.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.11874 |
| Heavy Atoms | 33 |
| Complexity | 1089.4651 |
Chemical Identifiers
| CAS Number | 593255-82-4 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CN(CC2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
AO-081/41133147 (CAS 593255-82-4), with molecular formula C22H25ClFN3O5S and molecular weight 497.12 g/mol. IUPAC: ethyl 4-[2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]acetyl]piperazine-1-carboxylate.
Chemical Property Profile of AO-081/41133147
Property Insights of AO-081/41133147
The XLogP value of 2.9707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-081/41133147. The TPSA of 87.23 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/41133147. Following Lipinski's Rule of Five, AO-081/41133147 has 0 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-081/41133147?
The CAS number of AO-081/41133147 is 593255-82-4.
What is the molecular formula of AO-081/41133147?
The molecular formula of AO-081/41133147 is C22H25ClFN3O5S.
What is the molecular weight of AO-081/41133147?
The molecular weight of AO-081/41133147 is 497.12 g/mol.
Where can I buy AO-081/41133147?
You can request a quote for AO-081/41133147 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/41133147?
Yes, KEHONG BIO provides custom synthesis services for AO-081/41133147 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.