![N-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide structure](/static/products/842/842973-56-2.png)
N-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 842973-56-2) is a chemical compound with molecular formula C28H23N5O5 and molecular weight 509.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-6-imino-7-[(4-methoxyphenyl)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: N-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-imino-1-(4-methoxybenzyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C28H23N5O5 |
|---|---|
| Molecular Weight | 509.17 g/mol |
| LogP | 2.84427 |
| Topological Polar Surface Area | 119.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 509.16992 |
| Heavy Atoms | 38 |
| Complexity | 1825.1411 |
Chemical Identifiers
| CAS Number | 842973-56-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C3=C(C=C(C2=N)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)N6C=CC=CC6=N3 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 842973-56-2), with molecular formula C28H23N5O5 and molecular weight 509.17 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-6-imino-7-[(4-methoxyphenyl)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 N-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
The XLogP value of 2.84427 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(4-methoxybenzyl)-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-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(4-methoxybenzyl)-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is 842973-56-2.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is C28H23N5O5.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is 509.17 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(4-methoxybenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(4-methoxybenzyl)-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-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(4-methoxybenzyl)-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-(1,3-benzodioxol-5-ylmethyl)-2-imino-1-(4-methoxybenzyl)-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.