![3-((4-Chlorophenyl)sulfonyl)-2-imino-1-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one structure](/static/products/5776/577698-65-8.webp)
3-((4-Chlorophenyl)sulfonyl)-2-imino-1-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
TL;DR: 3-((4-Chlorophenyl)sulfonyl)-2-imino-1-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one (CAS 577698-65-8) is a chemical compound with molecular formula C22H19ClN4O4S and molecular weight 470.08 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-(oxolan-2-ylmethyl)-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-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 3-[(4-CHLOROPHENYL)SULFONYL]-2-IMINO-1-(TETRAHYDRO-2-FURANYLMETHYL)-1,2-DIHYDRO-5H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-5-ONE, 3-((4-CHLOROPHENYL)SULFONYL)-2-IMINO-1-(TETRAHYDRO-2-FURANYLMETHYL)-1,2-DIHYDRO-5H-DIPYRIDO(1,2-A:2,3-D)PYRIMIDIN-5-ONE, 3-[(4-chlorophenyl)sulfonyl]-2-imino-1-(tetrahydrofuran-2-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 637-780-2
| Molecular Formula | C22H19ClN4O4S |
|---|---|
| Molecular Weight | 470.08 g/mol |
| LogP | 2.79387 |
| Topological Polar Surface Area | 106.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.08154 |
| Heavy Atoms | 32 |
| Complexity | 1570.4015 |
Chemical Identifiers
| CAS Number | 577698-65-8 |
|---|---|
| SMILES | C1CC(OC1)CN2C3=C(C=C(C2=N)S(=O)(=O)C4=CC=C(C=C4)Cl)C(=O)N5C=CC=CC5=N3 |
Product Overview
3-((4-Chlorophenyl)sulfonyl)-2-imino-1-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one (CAS 577698-65-8), with molecular formula C22H19ClN4O4S and molecular weight 470.08 g/mol. IUPAC: 5-(4-chlorophenyl)sulfonyl-6-imino-7-(oxolan-2-ylmethyl)-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-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
Property Insights of 3-((4-Chlorophenyl)sulfonyl)-2-imino-1-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
The XLogP value of 2.79387 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-Chlorophenyl)sulfonyl)-2-imino-1-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one. The TPSA of 106.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-Chlorophenyl)sulfonyl)-2-imino-1-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one. Following Lipinski's Rule of Five, 3-((4-Chlorophenyl)sulfonyl)-2-imino-1-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one has 1 hydrogen bond donor(s) and 6 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-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
The CAS number of 3-((4-Chlorophenyl)sulfonyl)-2-imino-1-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one is 577698-65-8.
What is the molecular formula of 3-((4-Chlorophenyl)sulfonyl)-2-imino-1-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
The molecular formula of 3-((4-Chlorophenyl)sulfonyl)-2-imino-1-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one is C22H19ClN4O4S.
What is the molecular weight of 3-((4-Chlorophenyl)sulfonyl)-2-imino-1-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
The molecular weight of 3-((4-Chlorophenyl)sulfonyl)-2-imino-1-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one is 470.08 g/mol.
Where can I buy 3-((4-Chlorophenyl)sulfonyl)-2-imino-1-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
You can request a quote for 3-((4-Chlorophenyl)sulfonyl)-2-imino-1-((tetrahydrofuran-2-yl)methyl)-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 3-((4-Chlorophenyl)sulfonyl)-2-imino-1-((tetrahydrofuran-2-yl)methyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Chlorophenyl)sulfonyl)-2-imino-1-((tetrahydrofuran-2-yl)methyl)-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.