AO-022/43454527
TL;DR: AO-022/43454527 (CAS 848751-78-0) is a chemical compound with molecular formula C25H27N5O3 and molecular weight 445.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-7-(3-methoxypropyl)-11-methyl-N-[(4-methylphenyl)methyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: AO-022/43454527, 2-imino-1-(3-methoxypropyl)-10-methyl-N-(4-methylbenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide, 2-imino-1-(3-methoxypropyl)-10-methyl-N-(4-methylbenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 6-Imino-7-(3-methoxypropyl)-11-methyl-N-[(4-methylphenyl)methyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, 2-imino-1-(3-methoxypropyl)-10-methyl-N-(4-methylbenzyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C25H27N5O3 |
|---|---|
| Molecular Weight | 445.21 g/mol |
| LogP | 2.71201 |
| Topological Polar Surface Area | 101.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.2114 |
| Heavy Atoms | 33 |
| Complexity | 1451.9022 |
Chemical Identifiers
| CAS Number | 848751-78-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(N=C4C(=CC=CN4C3=O)C)N(C2=N)CCCOC |
Product Overview
AO-022/43454527 (CAS 848751-78-0), with molecular formula C25H27N5O3 and molecular weight 445.21 g/mol. IUPAC: 6-imino-7-(3-methoxypropyl)-11-methyl-N-[(4-methylphenyl)methyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of AO-022/43454527
Property Insights of AO-022/43454527
The XLogP value of 2.71201 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43454527. The TPSA of 101.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454527. Following Lipinski's Rule of Five, AO-022/43454527 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-022/43454527?
The CAS number of AO-022/43454527 is 848751-78-0.
What is the molecular formula of AO-022/43454527?
The molecular formula of AO-022/43454527 is C25H27N5O3.
What is the molecular weight of AO-022/43454527?
The molecular weight of AO-022/43454527 is 445.21 g/mol.
Where can I buy AO-022/43454527?
You can request a quote for AO-022/43454527 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454527?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454527 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.