![5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione structure](/static/products/121/1212450-61-7.png)
5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 1212450-61-7) is a chemical compound with molecular formula C27H32N4O5S and molecular weight 524.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,4-dimethoxyphenyl)methyl]-1,3-dimethyl-5-[[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-{[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C27H32N4O5S |
|---|---|
| Molecular Weight | 524.21 g/mol |
| LogP | 1.729 |
| Topological Polar Surface Area | 84.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 524.20935 |
| Heavy Atoms | 37 |
| Complexity | 1300.115 |
Chemical Identifiers
| CAS Number | 1212450-61-7 |
|---|---|
| SMILES | CN1C(=O)C(C(=O)N(C1=S)C)(CC2=C(C=C(C=C2)OC)OC)CN3C[C@@H]4C[C@H](C3)C5=CC=CC(=O)N5C4 |
Product Overview
5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 1212450-61-7), with molecular formula C27H32N4O5S and molecular weight 524.21 g/mol. IUPAC: 5-[(2,4-dimethoxyphenyl)methyl]-1,3-dimethyl-5-[[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 1.729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 84.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 0 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 5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 1212450-61-7.
What is the molecular formula of 5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C27H32N4O5S.
What is the molecular weight of 5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 524.21 g/mol.
Where can I buy 5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,4-dimethoxybenzyl)-1,3-dimethyl-5-(((1R,5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.