![1-allyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one structure](/static/products/6069/606959-31-3.webp)
1-allyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
TL;DR: 1-allyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one (CAS 606959-31-3) is a chemical compound with molecular formula C21H17ClN4O3S and molecular weight 440.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)sulfonyl-6-imino-13-methyl-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: 1-allyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 1-allyl-3-((4-chlorophenyl)sulfonyl)-2-imino-8-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 1-ALLYL-3-[(4-CHLOROPHENYL)SULFONYL]-2-IMINO-8-METHYL-1,2-DIHYDRO-5H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-5-ONE, 3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1-(prop-2-en-1-yl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
| Molecular Formula | C21H17ClN4O3S |
|---|---|
| Molecular Weight | 440.07 g/mol |
| LogP | 3.10929 |
| Topological Polar Surface Area | 97.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.07098 |
| Heavy Atoms | 30 |
| Complexity | 1552.274 |
Chemical Identifiers
| CAS Number | 606959-31-3 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CC=C)S(=O)(=O)C4=CC=C(C=C4)Cl)C=C1 |
Product Overview
1-allyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one (CAS 606959-31-3), with molecular formula C21H17ClN4O3S and molecular weight 440.07 g/mol. IUPAC: 5-(4-chlorophenyl)sulfonyl-6-imino-13-methyl-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of 1-allyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Property Insights of 1-allyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
The XLogP value of 3.10929 indicates that 1-allyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-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-allyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one. Following Lipinski's Rule of Five, 1-allyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-allyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
The CAS number of 1-allyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one is 606959-31-3.
What is the molecular formula of 1-allyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
The molecular formula of 1-allyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one is C21H17ClN4O3S.
What is the molecular weight of 1-allyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
The molecular weight of 1-allyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one is 440.07 g/mol.
Where can I buy 1-allyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
You can request a quote for 1-allyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-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-allyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1-allyl-3-[(4-chlorophenyl)sulfonyl]-2-imino-8-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.