![3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-(3-morpholin-4-ylpropyl)-1,6-dihydr opyridino[1,2-a]pyridino[2,3-d]pyrimidin-5-one structure](/static/products/850/850802-00-5.png)
3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-(3-morpholin-4-ylpropyl)-1,6-dihydr opyridino[1,2-a]pyridino[2,3-d]pyrimidin-5-one
TL;DR: 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-(3-morpholin-4-ylpropyl)-1,6-dihydr opyridino[1,2-a]pyridino[2,3-d]pyrimidin-5-one (CAS 850802-00-5) is a chemical compound with molecular formula C26H29N5O4S and molecular weight 507.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dimethylphenyl)sulfonyl-6-imino-7-(3-morpholin-4-ylpropyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-(3-morpholin-4-ylpropyl)-1,6-dihydr opyridino[1,2-a]pyridino[2,3-d]pyrimidin-5-one, 3-((3,4-dimethylphenyl)sulfonyl)-2-imino-1-(3-morpholinopropyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-[3-(morpholin-4-yl)propyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
| Molecular Formula | C26H29N5O4S |
|---|---|
| Molecular Weight | 507.19 g/mol |
| LogP | 2.30061 |
| Topological Polar Surface Area | 109.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 507.19403 |
| Heavy Atoms | 36 |
| Complexity | 1684.9563 |
Chemical Identifiers
| CAS Number | 850802-00-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CCCN5CCOCC5)C |
Product Overview
3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-(3-morpholin-4-ylpropyl)-1,6-dihydr opyridino[1,2-a]pyridino[2,3-d]pyrimidin-5-one (CAS 850802-00-5), with molecular formula C26H29N5O4S and molecular weight 507.19 g/mol. IUPAC: 5-(3,4-dimethylphenyl)sulfonyl-6-imino-7-(3-morpholin-4-ylpropyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-(3-morpholin-4-ylpropyl)-1,6-dihydr opyridino[1,2-a]pyridino[2,3-d]pyrimidin-5-one
Property Insights of 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-(3-morpholin-4-ylpropyl)-1,6-dihydr opyridino[1,2-a]pyridino[2,3-d]pyrimidin-5-one
The XLogP value of 2.30061 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-(3-morpholin-4-ylpropyl)-1,6-dihydr opyridino[1,2-a]pyridino[2,3-d]pyrimidin-5-one. The TPSA of 109.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-(3-morpholin-4-ylpropyl)-1,6-dihydr opyridino[1,2-a]pyridino[2,3-d]pyrimidin-5-one. Following Lipinski's Rule of Five, 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-(3-morpholin-4-ylpropyl)-1,6-dihydr opyridino[1,2-a]pyridino[2,3-d]pyrimidin-5-one has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-(3-morpholin-4-ylpropyl)-1,6-dihydr opyridino[1,2-a]pyridino[2,3-d]pyrimidin-5-one?
The CAS number of 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-(3-morpholin-4-ylpropyl)-1,6-dihydr opyridino[1,2-a]pyridino[2,3-d]pyrimidin-5-one is 850802-00-5.
What is the molecular formula of 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-(3-morpholin-4-ylpropyl)-1,6-dihydr opyridino[1,2-a]pyridino[2,3-d]pyrimidin-5-one?
The molecular formula of 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-(3-morpholin-4-ylpropyl)-1,6-dihydr opyridino[1,2-a]pyridino[2,3-d]pyrimidin-5-one is C26H29N5O4S.
What is the molecular weight of 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-(3-morpholin-4-ylpropyl)-1,6-dihydr opyridino[1,2-a]pyridino[2,3-d]pyrimidin-5-one?
The molecular weight of 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-(3-morpholin-4-ylpropyl)-1,6-dihydr opyridino[1,2-a]pyridino[2,3-d]pyrimidin-5-one is 507.19 g/mol.
Where can I buy 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-(3-morpholin-4-ylpropyl)-1,6-dihydr opyridino[1,2-a]pyridino[2,3-d]pyrimidin-5-one?
You can request a quote for 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-(3-morpholin-4-ylpropyl)-1,6-dihydr opyridino[1,2-a]pyridino[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-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-(3-morpholin-4-ylpropyl)-1,6-dihydr opyridino[1,2-a]pyridino[2,3-d]pyrimidin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,4-dimethylphenyl)sulfonyl]-2-imino-1-(3-morpholin-4-ylpropyl)-1,6-dihydr opyridino[1,2-a]pyridino[2,3-d]pyrimidin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.