![1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one structure](/static/products/843/843636-95-3.png)
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
TL;DR: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one (CAS 843636-95-3) is a chemical compound with molecular formula C28H26N4O5S and molecular weight 530.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-5-(4-methylphenyl)sulfonyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 1-(3,4-dimethoxyphenethyl)-2-imino-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
| Molecular Formula | C28H26N4O5S |
|---|---|
| Molecular Weight | 530.16 g/mol |
| LogP | 3.52979 |
| Topological Polar Surface Area | 115.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 530.1624 |
| Heavy Atoms | 38 |
| Complexity | 1909.364 |
Chemical Identifiers
| CAS Number | 843636-95-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CCC5=CC(=C(C=C5)OC)OC |
Product Overview
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one (CAS 843636-95-3), with molecular formula C28H26N4O5S and molecular weight 530.16 g/mol. IUPAC: 7-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-5-(4-methylphenyl)sulfonyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Property Insights of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
The XLogP value of 3.52979 indicates that 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one. Following Lipinski's Rule of Five, 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one has 1 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 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
The CAS number of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one is 843636-95-3.
What is the molecular formula of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
The molecular formula of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one is C28H26N4O5S.
What is the molecular weight of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
The molecular weight of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one is 530.16 g/mol.
Where can I buy 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
You can request a quote for 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.