AO-022/43454390
TL;DR: AO-022/43454390 (CAS 840515-29-9) is a chemical compound with molecular formula C27H25N5O5 and molecular weight 499.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(3,4-dimethoxyphenyl)ethyl]-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-022/43454390, 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-furylmethyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide, 7-[2-(3,4-Dimethoxyphenyl)ethyl]-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, 1-(3,4-dimethoxyphenethyl)-N-(furan-2-ylmethyl)-2-imino-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 1-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-N-(2-FURYLMETHYL)-2-IMINO-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE
| Molecular Formula | C27H25N5O5 |
|---|---|
| Molecular Weight | 499.19 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.18558 |
| Heavy Atoms | 37 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 840515-29-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C3=C(C=C(C2=N)C(=O)NCC4=CC=CO4)C(=O)N5C=CC=CC5=N3)OC |
| InChIKey | BHBUSNQDRKWBKD-UHFFFAOYSA-N |
Product Overview
AO-022/43454390 (CAS 840515-29-9), with molecular formula C27H25N5O5 and molecular weight 499.19 g/mol. IUPAC: 7-[2-(3,4-dimethoxyphenyl)ethyl]-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-022/43454390
Property Insights of AO-022/43454390
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43454390. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454390. Following Lipinski's Rule of Five, AO-022/43454390 has 2 hydrogen bond donor(s) and 7 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-022/43454390?
The CAS number of AO-022/43454390 is 840515-29-9.
What is the molecular formula of AO-022/43454390?
The molecular formula of AO-022/43454390 is C27H25N5O5.
What is the molecular weight of AO-022/43454390?
The molecular weight of AO-022/43454390 is 499.19 g/mol.
Where can I buy AO-022/43454390?
You can request a quote for AO-022/43454390 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454390?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454390 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.