![3-[(4-bromophenyl)sulfonyl]-1-(butan-2-yl)-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one structure](/static/products/841/841206-84-6.png)
3-[(4-bromophenyl)sulfonyl]-1-(butan-2-yl)-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
TL;DR: 3-[(4-bromophenyl)sulfonyl]-1-(butan-2-yl)-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one (CAS 841206-84-6) is a chemical compound with molecular formula C22H21BrN4O3S and molecular weight 500.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)sulfonyl-7-butan-2-yl-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: 3-[(4-bromophenyl)sulfonyl]-1-(butan-2-yl)-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 3-((4-bromophenyl)sulfonyl)-1-(sec-butyl)-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
| Molecular Formula | C22H21BrN4O3S |
|---|---|
| Molecular Weight | 500.05 g/mol |
| LogP | 4.00339 |
| Topological Polar Surface Area | 97.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 500.05176 |
| Heavy Atoms | 31 |
| Complexity | 1554.7787 |
Chemical Identifiers
| CAS Number | 841206-84-6 |
|---|---|
| SMILES | CCC(C)N1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)Br)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
3-[(4-bromophenyl)sulfonyl]-1-(butan-2-yl)-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one (CAS 841206-84-6), with molecular formula C22H21BrN4O3S and molecular weight 500.05 g/mol. IUPAC: 5-(4-bromophenyl)sulfonyl-7-butan-2-yl-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 3-[(4-bromophenyl)sulfonyl]-1-(butan-2-yl)-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Property Insights of 3-[(4-bromophenyl)sulfonyl]-1-(butan-2-yl)-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
The XLogP value of 4.00339 indicates that 3-[(4-bromophenyl)sulfonyl]-1-(butan-2-yl)-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 3-[(4-bromophenyl)sulfonyl]-1-(butan-2-yl)-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one. Following Lipinski's Rule of Five, 3-[(4-bromophenyl)sulfonyl]-1-(butan-2-yl)-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 3-[(4-bromophenyl)sulfonyl]-1-(butan-2-yl)-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
The CAS number of 3-[(4-bromophenyl)sulfonyl]-1-(butan-2-yl)-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one is 841206-84-6.
What is the molecular formula of 3-[(4-bromophenyl)sulfonyl]-1-(butan-2-yl)-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
The molecular formula of 3-[(4-bromophenyl)sulfonyl]-1-(butan-2-yl)-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one is C22H21BrN4O3S.
What is the molecular weight of 3-[(4-bromophenyl)sulfonyl]-1-(butan-2-yl)-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
The molecular weight of 3-[(4-bromophenyl)sulfonyl]-1-(butan-2-yl)-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one is 500.05 g/mol.
Where can I buy 3-[(4-bromophenyl)sulfonyl]-1-(butan-2-yl)-2-imino-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
You can request a quote for 3-[(4-bromophenyl)sulfonyl]-1-(butan-2-yl)-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 3-[(4-bromophenyl)sulfonyl]-1-(butan-2-yl)-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 3-[(4-bromophenyl)sulfonyl]-1-(butan-2-yl)-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.