![2-imino-8-methyl-3-(phenylsulfonyl)-1-(pyridin-3-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one structure](/static/products/6069/606960-18-3.webp)
2-imino-8-methyl-3-(phenylsulfonyl)-1-(pyridin-3-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
TL;DR: 2-imino-8-methyl-3-(phenylsulfonyl)-1-(pyridin-3-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one (CAS 606960-18-3) is a chemical compound with molecular formula C24H19N5O3S and molecular weight 457.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzenesulfonyl)-6-imino-13-methyl-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: 2-imino-8-methyl-3-(phenylsulfonyl)-1-(pyridin-3-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 2-IMINO-8-METHYL-3-(PHENYLSULFONYL)-1-(3-PYRIDYLMETHYL)-1,2-DIHYDRO-5H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-5-ONE, 2-imino-8-methyl-3-(phenylsulfonyl)-1-(pyridin-3-ylmethyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
| Molecular Formula | C24H19N5O3S |
|---|---|
| Molecular Weight | 457.12 g/mol |
| LogP | 2.71319 |
| Topological Polar Surface Area | 110.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.12085 |
| Heavy Atoms | 33 |
| Complexity | 1742.8461 |
Chemical Identifiers
| CAS Number | 606960-18-3 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CC4=CN=CC=C4)S(=O)(=O)C5=CC=CC=C5)C=C1 |
Product Overview
2-imino-8-methyl-3-(phenylsulfonyl)-1-(pyridin-3-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one (CAS 606960-18-3), with molecular formula C24H19N5O3S and molecular weight 457.12 g/mol. IUPAC: 5-(benzenesulfonyl)-6-imino-13-methyl-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of 2-imino-8-methyl-3-(phenylsulfonyl)-1-(pyridin-3-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Property Insights of 2-imino-8-methyl-3-(phenylsulfonyl)-1-(pyridin-3-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
The XLogP value of 2.71319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-imino-8-methyl-3-(phenylsulfonyl)-1-(pyridin-3-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one. The TPSA of 110.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-imino-8-methyl-3-(phenylsulfonyl)-1-(pyridin-3-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one. Following Lipinski's Rule of Five, 2-imino-8-methyl-3-(phenylsulfonyl)-1-(pyridin-3-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-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 2-imino-8-methyl-3-(phenylsulfonyl)-1-(pyridin-3-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
The CAS number of 2-imino-8-methyl-3-(phenylsulfonyl)-1-(pyridin-3-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one is 606960-18-3.
What is the molecular formula of 2-imino-8-methyl-3-(phenylsulfonyl)-1-(pyridin-3-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
The molecular formula of 2-imino-8-methyl-3-(phenylsulfonyl)-1-(pyridin-3-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one is C24H19N5O3S.
What is the molecular weight of 2-imino-8-methyl-3-(phenylsulfonyl)-1-(pyridin-3-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
The molecular weight of 2-imino-8-methyl-3-(phenylsulfonyl)-1-(pyridin-3-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one is 457.12 g/mol.
Where can I buy 2-imino-8-methyl-3-(phenylsulfonyl)-1-(pyridin-3-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
You can request a quote for 2-imino-8-methyl-3-(phenylsulfonyl)-1-(pyridin-3-ylmethyl)-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 2-imino-8-methyl-3-(phenylsulfonyl)-1-(pyridin-3-ylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2-imino-8-methyl-3-(phenylsulfonyl)-1-(pyridin-3-ylmethyl)-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.