![N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-1-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide structure](/static/products/858/858761-71-4.png)
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-1-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
TL;DR: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-1-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 858761-71-4) is a chemical compound with molecular formula C26H29N5O5 and molecular weight 491.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-7-(3-methoxypropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-1-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-7-(3-methoxypropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, N-(3,4-dimethoxyphenethyl)-2-imino-1-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C26H29N5O5 |
|---|---|
| Molecular Weight | 491.22 g/mol |
| LogP | 2.15487 |
| Topological Polar Surface Area | 119.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 491.21686 |
| Heavy Atoms | 36 |
| Complexity | 1525.469 |
Chemical Identifiers
| CAS Number | 858761-71-4 |
|---|---|
| SMILES | COCCCN1C2=C(C=C(C1=N)C(=O)NCCC3=CC(=C(C=C3)OC)OC)C(=O)N4C=CC=CC4=N2 |
Product Overview
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-1-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 858761-71-4), with molecular formula C26H29N5O5 and molecular weight 491.22 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-7-(3-methoxypropyl)-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 N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-1-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Property Insights of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-1-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
The XLogP value of 2.15487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-1-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide. The TPSA of 119.94 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-1-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide. Following Lipinski's Rule of Five, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-1-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide 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 N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-1-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
The CAS number of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-1-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is 858761-71-4.
What is the molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-1-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
The molecular formula of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-1-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is C26H29N5O5.
What is the molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-1-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
The molecular weight of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-1-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is 491.22 g/mol.
Where can I buy N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-1-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
You can request a quote for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-1-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-1-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-1-(3-methoxypropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.