![2-imino-N-[2-(4-methoxyphenyl)ethyl]-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide structure](/static/products/844/844653-72-1.png)
2-imino-N-[2-(4-methoxyphenyl)ethyl]-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
TL;DR: 2-imino-N-[2-(4-methoxyphenyl)ethyl]-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 844653-72-1) is a chemical compound with molecular formula C29H35N5O3 and molecular weight 501.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-octyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: 2-imino-N-[2-(4-methoxyphenyl)ethyl]-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 2-imino-N-(4-methoxyphenethyl)-1-octyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C29H35N5O3 |
|---|---|
| Molecular Weight | 501.27 g/mol |
| LogP | 4.47027 |
| Topological Polar Surface Area | 101.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 501.274 |
| Heavy Atoms | 37 |
| Complexity | 1488.221 |
Chemical Identifiers
| CAS Number | 844653-72-1 |
|---|---|
| SMILES | CCCCCCCCN1C2=C(C=C(C1=N)C(=O)NCCC3=CC=C(C=C3)OC)C(=O)N4C=CC=CC4=N2 |
Product Overview
2-imino-N-[2-(4-methoxyphenyl)ethyl]-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 844653-72-1), with molecular formula C29H35N5O3 and molecular weight 501.27 g/mol. IUPAC: 6-imino-N-[2-(4-methoxyphenyl)ethyl]-7-octyl-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 2-imino-N-[2-(4-methoxyphenyl)ethyl]-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Property Insights of 2-imino-N-[2-(4-methoxyphenyl)ethyl]-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
The XLogP value of 4.47027 indicates that 2-imino-N-[2-(4-methoxyphenyl)ethyl]-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-imino-N-[2-(4-methoxyphenyl)ethyl]-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide. Following Lipinski's Rule of Five, 2-imino-N-[2-(4-methoxyphenyl)ethyl]-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-imino-N-[2-(4-methoxyphenyl)ethyl]-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
The CAS number of 2-imino-N-[2-(4-methoxyphenyl)ethyl]-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is 844653-72-1.
What is the molecular formula of 2-imino-N-[2-(4-methoxyphenyl)ethyl]-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
The molecular formula of 2-imino-N-[2-(4-methoxyphenyl)ethyl]-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is C29H35N5O3.
What is the molecular weight of 2-imino-N-[2-(4-methoxyphenyl)ethyl]-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
The molecular weight of 2-imino-N-[2-(4-methoxyphenyl)ethyl]-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is 501.27 g/mol.
Where can I buy 2-imino-N-[2-(4-methoxyphenyl)ethyl]-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
You can request a quote for 2-imino-N-[2-(4-methoxyphenyl)ethyl]-1-octyl-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 2-imino-N-[2-(4-methoxyphenyl)ethyl]-1-octyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-imino-N-[2-(4-methoxyphenyl)ethyl]-1-octyl-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.