(S)-5-(3,4-dichlorobenzyl)-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one
TL;DR: (S)-5-(3,4-dichlorobenzyl)-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one (CAS 1212175-18-2) is a chemical compound with molecular formula C25H25Cl2N3O5S and molecular weight 549.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,4-dichlorophenyl)methyl]-2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one
Also Known As: (S)-5-(3,4-dichlorobenzyl)-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one, 5-[(3,4-dichlorophenyl)methyl]-2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one
| Molecular Formula | C25H25Cl2N3O5S |
|---|---|
| Molecular Weight | 549.09 g/mol |
| LogP | 4.6283 |
| Topological Polar Surface Area | 104.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 549.0892 |
| Heavy Atoms | 36 |
| Complexity | 1364.2518 |
Chemical Identifiers
| CAS Number | 1212175-18-2 |
|---|---|
| SMILES | C[C@H]1C2=CC(=C(C=C2CCN1C(=O)CSC3=NC(=C(C(=O)N3)CC4=CC(=C(C=C4)Cl)Cl)O)OC)OC |
Product Overview
(S)-5-(3,4-dichlorobenzyl)-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one (CAS 1212175-18-2), with molecular formula C25H25Cl2N3O5S and molecular weight 549.09 g/mol. IUPAC: 5-[(3,4-dichlorophenyl)methyl]-2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one.
Chemical Property Profile of (S)-5-(3,4-dichlorobenzyl)-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one
Property Insights of (S)-5-(3,4-dichlorobenzyl)-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one
The XLogP value of 4.6283 indicates that (S)-5-(3,4-dichlorobenzyl)-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-5-(3,4-dichlorobenzyl)-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one. Following Lipinski's Rule of Five, (S)-5-(3,4-dichlorobenzyl)-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one has 2 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 (S)-5-(3,4-dichlorobenzyl)-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one?
The CAS number of (S)-5-(3,4-dichlorobenzyl)-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one is 1212175-18-2.
What is the molecular formula of (S)-5-(3,4-dichlorobenzyl)-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one?
The molecular formula of (S)-5-(3,4-dichlorobenzyl)-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one is C25H25Cl2N3O5S.
What is the molecular weight of (S)-5-(3,4-dichlorobenzyl)-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one?
The molecular weight of (S)-5-(3,4-dichlorobenzyl)-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one is 549.09 g/mol.
Where can I buy (S)-5-(3,4-dichlorobenzyl)-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one?
You can request a quote for (S)-5-(3,4-dichlorobenzyl)-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-5-(3,4-dichlorobenzyl)-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for (S)-5-(3,4-dichlorobenzyl)-2-((2-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)thio)-6-hydroxypyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.