AO-022/43452961
TL;DR: AO-022/43452961 (CAS 956765-03-0) is a chemical compound with molecular formula C21H27N3O5 and molecular weight 401.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-N-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Also Known As: AO-022/43452961, 5-ethyl-N-[2-(isopentylamino)-1-methyl-2-oxoethyl]-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide, 5-ethyl-N-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide, (S)-5-ethyl-N-(1-(isopentylamino)-1-oxopropan-2-yl)-8-oxo-5,8-dihydro-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide, 5-ethyl-N-{(2S)-1-[(3-methylbutyl)amino]-1-oxopropan-2-yl}-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
| Molecular Formula | C21H27N3O5 |
|---|---|
| Molecular Weight | 401.20 g/mol |
| LogP | 2.0307 |
| Topological Polar Surface Area | 98.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.19507 |
| Heavy Atoms | 29 |
| Complexity | 995.95465 |
Chemical Identifiers
| CAS Number | 956765-03-0 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)N[C@@H](C)C(=O)NCCC(C)C |
Product Overview
AO-022/43452961 (CAS 956765-03-0), with molecular formula C21H27N3O5 and molecular weight 401.20 g/mol. IUPAC: 5-ethyl-N-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide.
Chemical Property Profile of AO-022/43452961
Property Insights of AO-022/43452961
The XLogP value of 2.0307 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43452961. The TPSA of 98.66 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43452961. Following Lipinski's Rule of Five, AO-022/43452961 has 2 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-022/43452961?
The CAS number of AO-022/43452961 is 956765-03-0.
What is the molecular formula of AO-022/43452961?
The molecular formula of AO-022/43452961 is C21H27N3O5.
What is the molecular weight of AO-022/43452961?
The molecular weight of AO-022/43452961 is 401.20 g/mol.
Where can I buy AO-022/43452961?
You can request a quote for AO-022/43452961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43452961?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43452961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.