AO-022/43453341
TL;DR: AO-022/43453341 (CAS 893702-61-9) is a chemical compound with molecular formula C24H18ClN5O3 and molecular weight 459.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-6-imino-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-022/43453341, 1-(4-chlorobenzyl)-N-(furan-2-ylmethyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 1-(4-chlorobenzyl)-N-(2-furfuryl)-2-imino-5-keto-dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxamide, 1-(4-CHLOROBENZYL)-N-(2-FURYLMETHYL)-2-IMINO-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE, 1-(4-chlorobenzyl)-N-(2-furylmethyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
| Molecular Formula | C24H18ClN5O3 |
|---|---|
| Molecular Weight | 459.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.1098 |
| Heavy Atoms | 33 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 893702-61-9 |
|---|---|
| SMILES | C1=CC2=NC3=C(C=C(C(=N)N3CC4=CC=C(C=C4)Cl)C(=O)NCC5=CC=CO5)C(=O)N2C=C1 |
| InChIKey | RQZZDKRLSZFNAC-UHFFFAOYSA-N |
Product Overview
AO-022/43453341 (CAS 893702-61-9), with molecular formula C24H18ClN5O3 and molecular weight 459.11 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-6-imino-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-022/43453341
Property Insights of AO-022/43453341
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43453341. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453341. Following Lipinski's Rule of Five, AO-022/43453341 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-022/43453341?
The CAS number of AO-022/43453341 is 893702-61-9.
What is the molecular formula of AO-022/43453341?
The molecular formula of AO-022/43453341 is C24H18ClN5O3.
What is the molecular weight of AO-022/43453341?
The molecular weight of AO-022/43453341 is 459.11 g/mol.
Where can I buy AO-022/43453341?
You can request a quote for AO-022/43453341 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453341?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453341 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.