![3-[(4-bromophenyl)sulfonyl]-2-imino-1-(3-methoxypropyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one structure](/static/products/5754/575470-80-3.webp)
3-[(4-bromophenyl)sulfonyl]-2-imino-1-(3-methoxypropyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
TL;DR: 3-[(4-bromophenyl)sulfonyl]-2-imino-1-(3-methoxypropyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one (CAS 575470-80-3) is a chemical compound with molecular formula C21H19BrN4O4S and molecular weight 502.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)sulfonyl-6-imino-7-(3-methoxypropyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: 3-[(4-bromophenyl)sulfonyl]-2-imino-1-(3-methoxypropyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 3-((4-bromophenyl)sulfonyl)-2-imino-1-(3-methoxypropyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
| Molecular Formula | C21H19BrN4O4S |
|---|---|
| Molecular Weight | 502.03 g/mol |
| LogP | 2.76047 |
| Topological Polar Surface Area | 106.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.03104 |
| Heavy Atoms | 31 |
| Complexity | 1509.2238 |
Chemical Identifiers
| CAS Number | 575470-80-3 |
|---|---|
| SMILES | COCCCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)Br)C(=O)N4C=CC=CC4=N2 |
Product Overview
3-[(4-bromophenyl)sulfonyl]-2-imino-1-(3-methoxypropyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one (CAS 575470-80-3), with molecular formula C21H19BrN4O4S and molecular weight 502.03 g/mol. IUPAC: 5-(4-bromophenyl)sulfonyl-6-imino-7-(3-methoxypropyl)-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-bromophenyl)sulfonyl]-2-imino-1-(3-methoxypropyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Property Insights of 3-[(4-bromophenyl)sulfonyl]-2-imino-1-(3-methoxypropyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
The XLogP value of 2.76047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-bromophenyl)sulfonyl]-2-imino-1-(3-methoxypropyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one. The TPSA of 106.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-bromophenyl)sulfonyl]-2-imino-1-(3-methoxypropyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one. Following Lipinski's Rule of Five, 3-[(4-bromophenyl)sulfonyl]-2-imino-1-(3-methoxypropyl)-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(4-bromophenyl)sulfonyl]-2-imino-1-(3-methoxypropyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
The CAS number of 3-[(4-bromophenyl)sulfonyl]-2-imino-1-(3-methoxypropyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one is 575470-80-3.
What is the molecular formula of 3-[(4-bromophenyl)sulfonyl]-2-imino-1-(3-methoxypropyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
The molecular formula of 3-[(4-bromophenyl)sulfonyl]-2-imino-1-(3-methoxypropyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one is C21H19BrN4O4S.
What is the molecular weight of 3-[(4-bromophenyl)sulfonyl]-2-imino-1-(3-methoxypropyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
The molecular weight of 3-[(4-bromophenyl)sulfonyl]-2-imino-1-(3-methoxypropyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one is 502.03 g/mol.
Where can I buy 3-[(4-bromophenyl)sulfonyl]-2-imino-1-(3-methoxypropyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
You can request a quote for 3-[(4-bromophenyl)sulfonyl]-2-imino-1-(3-methoxypropyl)-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 3-[(4-bromophenyl)sulfonyl]-2-imino-1-(3-methoxypropyl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-bromophenyl)sulfonyl]-2-imino-1-(3-methoxypropyl)-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.