![1-(sec-Butyl)-2-imino-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one structure](/static/products/6073/607382-81-0.webp)
1-(sec-Butyl)-2-imino-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
TL;DR: 1-(sec-Butyl)-2-imino-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one (CAS 607382-81-0) is a chemical compound with molecular formula C22H22N4O3S and molecular weight 422.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-butan-2-yl-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-(sec-Butyl)-2-imino-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 1-sec-butyl-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one, 1-(butan-2-yl)-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 1-Sec-butyl-2-imino-3-((4-methylphenyl)sulfonyl)-1,2-dihydro-5H-dipyrido(1,2-A:2,3-D)pyrimidin-5-one, 1-sec-butyl-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
| Molecular Formula | C22H22N4O3S |
|---|---|
| Molecular Weight | 422.14 g/mol |
| LogP | 3.24089 |
| Topological Polar Surface Area | 97.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.14127 |
| Heavy Atoms | 30 |
| Complexity | 1500.2267 |
Chemical Identifiers
| CAS Number | 607382-81-0 |
|---|---|
| SMILES | CCC(C)N1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)N4C=CC=CC4=N2 |
Product Overview
1-(sec-Butyl)-2-imino-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one (CAS 607382-81-0), with molecular formula C22H22N4O3S and molecular weight 422.14 g/mol. IUPAC: 7-butan-2-yl-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-(sec-Butyl)-2-imino-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
Property Insights of 1-(sec-Butyl)-2-imino-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
The XLogP value of 3.24089 indicates that 1-(sec-Butyl)-2-imino-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-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-(sec-Butyl)-2-imino-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one. Following Lipinski's Rule of Five, 1-(sec-Butyl)-2-imino-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(sec-Butyl)-2-imino-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
The CAS number of 1-(sec-Butyl)-2-imino-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one is 607382-81-0.
What is the molecular formula of 1-(sec-Butyl)-2-imino-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
The molecular formula of 1-(sec-Butyl)-2-imino-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one is C22H22N4O3S.
What is the molecular weight of 1-(sec-Butyl)-2-imino-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
The molecular weight of 1-(sec-Butyl)-2-imino-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one is 422.14 g/mol.
Where can I buy 1-(sec-Butyl)-2-imino-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
You can request a quote for 1-(sec-Butyl)-2-imino-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(sec-Butyl)-2-imino-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(sec-Butyl)-2-imino-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.