AO-022/43453235
TL;DR: AO-022/43453235 (CAS 587012-52-0) is a chemical compound with molecular formula C21H25N5O3 and molecular weight 395.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-2-oxo-7-(3-propan-2-yloxypropyl)-N-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: AO-022/43453235, 6-Imino-2-oxo-7-(3-propan-2-yloxypropyl)-N-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, 2-imino-5-oxo-1-[3-(propan-2-yloxy)propyl]-N-(prop-2-en-1-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-ALLYL-2-IMINO-1-(3-ISOPROPOXYPROPYL)-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE, N-allyl-2-imino-1-(3-isopropoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
| Molecular Formula | C21H25N5O3 |
|---|---|
| Molecular Weight | 395.20 g/mol |
| LogP | 1.85957 |
| Topological Polar Surface Area | 101.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 395.19574 |
| Heavy Atoms | 29 |
| Complexity | 1176.5972 |
Chemical Identifiers
| CAS Number | 587012-52-0 |
|---|---|
| SMILES | CC(C)OCCCN1C2=C(C=C(C1=N)C(=O)NCC=C)C(=O)N3C=CC=CC3=N2 |
Product Overview
AO-022/43453235 (CAS 587012-52-0), with molecular formula C21H25N5O3 and molecular weight 395.20 g/mol. IUPAC: 6-imino-2-oxo-7-(3-propan-2-yloxypropyl)-N-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of AO-022/43453235
Property Insights of AO-022/43453235
The XLogP value of 1.85957 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43453235. The TPSA of 101.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453235. Following Lipinski's Rule of Five, AO-022/43453235 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-022/43453235?
The CAS number of AO-022/43453235 is 587012-52-0.
What is the molecular formula of AO-022/43453235?
The molecular formula of AO-022/43453235 is C21H25N5O3.
What is the molecular weight of AO-022/43453235?
The molecular weight of AO-022/43453235 is 395.20 g/mol.
Where can I buy AO-022/43453235?
You can request a quote for AO-022/43453235 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453235?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453235 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.