![1-benzyl-3-[(4-bromophenyl)sulfonyl]-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one structure](/static/products/848/848735-52-4.png)
1-benzyl-3-[(4-bromophenyl)sulfonyl]-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
TL;DR: 1-benzyl-3-[(4-bromophenyl)sulfonyl]-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one (CAS 848735-52-4) is a chemical compound with molecular formula C25H19BrN4O3S and molecular weight 534.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-5-(4-bromophenyl)sulfonyl-6-imino-11-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: 1-benzyl-3-[(4-bromophenyl)sulfonyl]-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 1-benzyl-3-((4-bromophenyl)sulfonyl)-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
| Molecular Formula | C25H19BrN4O3S |
|---|---|
| Molecular Weight | 534.04 g/mol |
| LogP | 4.08069 |
| Topological Polar Surface Area | 97.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 534.03613 |
| Heavy Atoms | 34 |
| Complexity | 1793.1724 |
Chemical Identifiers
| CAS Number | 848735-52-4 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Br |
Product Overview
1-benzyl-3-[(4-bromophenyl)sulfonyl]-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one (CAS 848735-52-4), with molecular formula C25H19BrN4O3S and molecular weight 534.04 g/mol. IUPAC: 7-benzyl-5-(4-bromophenyl)sulfonyl-6-imino-11-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of 1-benzyl-3-[(4-bromophenyl)sulfonyl]-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Property Insights of 1-benzyl-3-[(4-bromophenyl)sulfonyl]-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
The XLogP value of 4.08069 indicates that 1-benzyl-3-[(4-bromophenyl)sulfonyl]-2-imino-10-methyl-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 97.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-benzyl-3-[(4-bromophenyl)sulfonyl]-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one. Following Lipinski's Rule of Five, 1-benzyl-3-[(4-bromophenyl)sulfonyl]-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one has 1 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 1-benzyl-3-[(4-bromophenyl)sulfonyl]-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
The CAS number of 1-benzyl-3-[(4-bromophenyl)sulfonyl]-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one is 848735-52-4.
What is the molecular formula of 1-benzyl-3-[(4-bromophenyl)sulfonyl]-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
The molecular formula of 1-benzyl-3-[(4-bromophenyl)sulfonyl]-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one is C25H19BrN4O3S.
What is the molecular weight of 1-benzyl-3-[(4-bromophenyl)sulfonyl]-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
The molecular weight of 1-benzyl-3-[(4-bromophenyl)sulfonyl]-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one is 534.04 g/mol.
Where can I buy 1-benzyl-3-[(4-bromophenyl)sulfonyl]-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
You can request a quote for 1-benzyl-3-[(4-bromophenyl)sulfonyl]-2-imino-10-methyl-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-benzyl-3-[(4-bromophenyl)sulfonyl]-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-3-[(4-bromophenyl)sulfonyl]-2-imino-10-methyl-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.