AO-080/43441787
TL;DR: AO-080/43441787 (CAS 893778-68-2) is a chemical compound with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-phenylpiperazin-1-yl)sulfonyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-one
Also Known As: AO-080/43441787, A4145/0176590, 8-[(4-phenylpiperazin-1-yl)sulfonyl]-6,7-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinolin-3(2H)-one, 8-((4-phenylpiperazin-1-yl)sulfonyl)-6,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinolin-3(5H)-one, 8-(4-phenylpiperazin-1-yl)sulfonyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-one
| Molecular Formula | C21H23N3O4S |
|---|---|
| Molecular Weight | 413.14 g/mol |
| LogP | 1.8691 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.14093 |
| Heavy Atoms | 29 |
| Complexity | 1047.096 |
Chemical Identifiers
| CAS Number | 893778-68-2 |
|---|---|
| SMILES | C1CC2=C(C=CC3=C2N(C1)C(=O)CO3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5 |
Product Overview
AO-080/43441787 (CAS 893778-68-2), with molecular formula C21H23N3O4S and molecular weight 413.14 g/mol. IUPAC: 8-(4-phenylpiperazin-1-yl)sulfonyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-2-one.
Chemical Property Profile of AO-080/43441787
Property Insights of AO-080/43441787
The XLogP value of 1.8691 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-080/43441787. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-080/43441787. Following Lipinski's Rule of Five, AO-080/43441787 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-080/43441787?
The CAS number of AO-080/43441787 is 893778-68-2.
What is the molecular formula of AO-080/43441787?
The molecular formula of AO-080/43441787 is C21H23N3O4S.
What is the molecular weight of AO-080/43441787?
The molecular weight of AO-080/43441787 is 413.14 g/mol.
Where can I buy AO-080/43441787?
You can request a quote for AO-080/43441787 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/43441787?
Yes, KEHONG BIO provides custom synthesis services for AO-080/43441787 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.