AO-022/42099961
TL;DR: AO-022/42099961 (CAS 614747-56-7) is a chemical compound with molecular formula C22H21N5O2 and molecular weight 387.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethyl-6-imino-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-022/42099961, F1425-2253, 1-ethyl-2-imino-N-(4-methylbenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 1-ethyl-2-imino-N-(4-methylbenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide, 1-ethyl-2-imino-N-(4-methylbenzyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C22H21N5O2 |
|---|---|
| Molecular Weight | 387.17 g/mol |
| LogP | 2.38699 |
| Topological Polar Surface Area | 92.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.16953 |
| Heavy Atoms | 29 |
| Complexity | 1350.2493 |
Chemical Identifiers
| CAS Number | 614747-56-7 |
|---|---|
| SMILES | CCN1C2=C(C=C(C1=N)C(=O)NCC3=CC=C(C=C3)C)C(=O)N4C=CC=CC4=N2 |
Product Overview
AO-022/42099961 (CAS 614747-56-7), with molecular formula C22H21N5O2 and molecular weight 387.17 g/mol. IUPAC: 7-ethyl-6-imino-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-022/42099961
Property Insights of AO-022/42099961
The XLogP value of 2.38699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/42099961. The TPSA of 92.25 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42099961. Following Lipinski's Rule of Five, AO-022/42099961 has 2 hydrogen bond donor(s) and 4 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-022/42099961?
The CAS number of AO-022/42099961 is 614747-56-7.
What is the molecular formula of AO-022/42099961?
The molecular formula of AO-022/42099961 is C22H21N5O2.
What is the molecular weight of AO-022/42099961?
The molecular weight of AO-022/42099961 is 387.17 g/mol.
Where can I buy AO-022/42099961?
You can request a quote for AO-022/42099961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42099961?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42099961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.