AB00605606-06
TL;DR: AB00605606-06 (CAS 851129-99-2) is a chemical compound with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
Also Known As: AB00605606-06, F0594-0761, 2-{[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one, 1-({[5-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3,4-oxadiazol-2-yl]thio}acetyl)-4-phenylpiperazine, 2-((5-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone
| Molecular Formula | C22H22N4O4S |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 3.023 |
| Topological Polar Surface Area | 80.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.13617 |
| Heavy Atoms | 31 |
| Complexity | 1036.7549 |
Chemical Identifiers
| CAS Number | 851129-99-2 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NN=C(O3)C4COC5=CC=CC=C5O4 |
Product Overview
AB00605606-06 (CAS 851129-99-2), with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol. IUPAC: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.
Chemical Property Profile of AB00605606-06
Property Insights of AB00605606-06
The XLogP value of 3.023 indicates that AB00605606-06 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.93 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00605606-06. Following Lipinski's Rule of Five, AB00605606-06 has 0 hydrogen bond donor(s) and 8 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 AB00605606-06?
The CAS number of AB00605606-06 is 851129-99-2.
What is the molecular formula of AB00605606-06?
The molecular formula of AB00605606-06 is C22H22N4O4S.
What is the molecular weight of AB00605606-06?
The molecular weight of AB00605606-06 is 438.14 g/mol.
Where can I buy AB00605606-06?
You can request a quote for AB00605606-06 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00605606-06?
Yes, KEHONG BIO provides custom synthesis services for AB00605606-06 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.