![2-imino-1-(3-isopropoxypropyl)-8-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one structure](/static/products/847/847337-70-6.png)
2-imino-1-(3-isopropoxypropyl)-8-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one
TL;DR: 2-imino-1-(3-isopropoxypropyl)-8-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one (CAS 847337-70-6) is a chemical compound with molecular formula C24H26N4O4S and molecular weight 466.17 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-(3-propan-2-yloxypropyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: 2-imino-1-(3-isopropoxypropyl)-8-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one, AO-022/43455358, 5-(Benzenesulfonyl)-6-imino-13-methyl-7-(3-propan-2-yloxypropyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one, 2-imino-1-(3-isopropoxypropyl)-8-methyl-3-(phenylsulfonyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 2-imino-8-methyl-3-(phenylsulfonyl)-1-[3-(propan-2-yloxy)propyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
| Molecular Formula | C24H26N4O4S |
|---|---|
| Molecular Weight | 466.17 g/mol |
| LogP | 3.08499 |
| Topological Polar Surface Area | 106.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 466.16748 |
| Heavy Atoms | 33 |
| Complexity | 1555.2417 |
Chemical Identifiers
| CAS Number | 847337-70-6 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CCCOC(C)C)S(=O)(=O)C4=CC=CC=C4)C=C1 |
Product Overview
2-imino-1-(3-isopropoxypropyl)-8-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one (CAS 847337-70-6), with molecular formula C24H26N4O4S and molecular weight 466.17 g/mol. IUPAC: 5-(benzenesulfonyl)-6-imino-13-methyl-7-(3-propan-2-yloxypropyl)-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-1-(3-isopropoxypropyl)-8-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one
Property Insights of 2-imino-1-(3-isopropoxypropyl)-8-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one
The XLogP value of 3.08499 indicates that 2-imino-1-(3-isopropoxypropyl)-8-methyl-3-(phenylsulfonyl)-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 106.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-imino-1-(3-isopropoxypropyl)-8-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one. Following Lipinski's Rule of Five, 2-imino-1-(3-isopropoxypropyl)-8-methyl-3-(phenylsulfonyl)-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-1-(3-isopropoxypropyl)-8-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one?
The CAS number of 2-imino-1-(3-isopropoxypropyl)-8-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one is 847337-70-6.
What is the molecular formula of 2-imino-1-(3-isopropoxypropyl)-8-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one?
The molecular formula of 2-imino-1-(3-isopropoxypropyl)-8-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one is C24H26N4O4S.
What is the molecular weight of 2-imino-1-(3-isopropoxypropyl)-8-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one?
The molecular weight of 2-imino-1-(3-isopropoxypropyl)-8-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one is 466.17 g/mol.
Where can I buy 2-imino-1-(3-isopropoxypropyl)-8-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one?
You can request a quote for 2-imino-1-(3-isopropoxypropyl)-8-methyl-3-(phenylsulfonyl)-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-1-(3-isopropoxypropyl)-8-methyl-3-(phenylsulfonyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 2-imino-1-(3-isopropoxypropyl)-8-methyl-3-(phenylsulfonyl)-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.