![3-[(4-chlorophenyl)sulfonyl]-2-imino-1-methyl-1,6-dihydropyridino[1,2-a]pyridi no[2,3-d]pyrimidin-5-one structure](/static/products/848/848734-61-2.png)
3-[(4-chlorophenyl)sulfonyl]-2-imino-1-methyl-1,6-dihydropyridino[1,2-a]pyridi no[2,3-d]pyrimidin-5-one
TL;DR: 3-[(4-chlorophenyl)sulfonyl]-2-imino-1-methyl-1,6-dihydropyridino[1,2-a]pyridi no[2,3-d]pyrimidin-5-one (CAS 848734-61-2) is a chemical compound with molecular formula C18H13ClN4O3S and molecular weight 400.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)sulfonyl-6-imino-7-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-chlorophenyl)sulfonyl]-2-imino-1-methyl-1,6-dihydropyridino[1,2-a]pyridi no[2,3-d]pyrimidin-5-one, 3-((4-chlorophenyl)sulfonyl)-2-imino-1-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 3-[(4-chlorophenyl)sulfonyl]-2-imino-1-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
| Molecular Formula | C18H13ClN4O3S |
|---|---|
| Molecular Weight | 400.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.0397 |
| Heavy Atoms | 27 |
| Complexity | 977.0 |
Chemical Identifiers
| CAS Number | 848734-61-2 |
|---|---|
| SMILES | CN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)N4C=CC=CC4=N2 |
| InChIKey | IZHJVWMLZYDCAE-UHFFFAOYSA-N |
Product Overview
3-[(4-chlorophenyl)sulfonyl]-2-imino-1-methyl-1,6-dihydropyridino[1,2-a]pyridi no[2,3-d]pyrimidin-5-one (CAS 848734-61-2), with molecular formula C18H13ClN4O3S and molecular weight 400.04 g/mol. IUPAC: 5-(4-chlorophenyl)sulfonyl-6-imino-7-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-chlorophenyl)sulfonyl]-2-imino-1-methyl-1,6-dihydropyridino[1,2-a]pyridi no[2,3-d]pyrimidin-5-one
Property Insights of 3-[(4-chlorophenyl)sulfonyl]-2-imino-1-methyl-1,6-dihydropyridino[1,2-a]pyridi no[2,3-d]pyrimidin-5-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-chlorophenyl)sulfonyl]-2-imino-1-methyl-1,6-dihydropyridino[1,2-a]pyridi no[2,3-d]pyrimidin-5-one. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-chlorophenyl)sulfonyl]-2-imino-1-methyl-1,6-dihydropyridino[1,2-a]pyridi no[2,3-d]pyrimidin-5-one. Following Lipinski's Rule of Five, 3-[(4-chlorophenyl)sulfonyl]-2-imino-1-methyl-1,6-dihydropyridino[1,2-a]pyridi no[2,3-d]pyrimidin-5-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 3-[(4-chlorophenyl)sulfonyl]-2-imino-1-methyl-1,6-dihydropyridino[1,2-a]pyridi no[2,3-d]pyrimidin-5-one?
The CAS number of 3-[(4-chlorophenyl)sulfonyl]-2-imino-1-methyl-1,6-dihydropyridino[1,2-a]pyridi no[2,3-d]pyrimidin-5-one is 848734-61-2.
What is the molecular formula of 3-[(4-chlorophenyl)sulfonyl]-2-imino-1-methyl-1,6-dihydropyridino[1,2-a]pyridi no[2,3-d]pyrimidin-5-one?
The molecular formula of 3-[(4-chlorophenyl)sulfonyl]-2-imino-1-methyl-1,6-dihydropyridino[1,2-a]pyridi no[2,3-d]pyrimidin-5-one is C18H13ClN4O3S.
What is the molecular weight of 3-[(4-chlorophenyl)sulfonyl]-2-imino-1-methyl-1,6-dihydropyridino[1,2-a]pyridi no[2,3-d]pyrimidin-5-one?
The molecular weight of 3-[(4-chlorophenyl)sulfonyl]-2-imino-1-methyl-1,6-dihydropyridino[1,2-a]pyridi no[2,3-d]pyrimidin-5-one is 400.04 g/mol.
Where can I buy 3-[(4-chlorophenyl)sulfonyl]-2-imino-1-methyl-1,6-dihydropyridino[1,2-a]pyridi no[2,3-d]pyrimidin-5-one?
You can request a quote for 3-[(4-chlorophenyl)sulfonyl]-2-imino-1-methyl-1,6-dihydropyridino[1,2-a]pyridi no[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-chlorophenyl)sulfonyl]-2-imino-1-methyl-1,6-dihydropyridino[1,2-a]pyridi no[2,3-d]pyrimidin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-chlorophenyl)sulfonyl]-2-imino-1-methyl-1,6-dihydropyridino[1,2-a]pyridi no[2,3-d]pyrimidin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.