![5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminome structure](/static/products/3134/31349-12-9.webp)
5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminome
TL;DR: 5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminome (CAS 31349-12-9) is a chemical compound with molecular formula C17H21ClN4OS and molecular weight 364.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminome, 5-[(4-Chlorophenyl)methyl]-6-[(E)-{[3-(dimethylamino)propyl]imino}methyl]-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one, 4(1H)-Pyrimidinone, 5-[(4-chlorophenyl)methyl]-6-[[[3-(dimethylamino)propyl]imino]methyl]-2,3-dihydro-2-thioxo-, 5-(4-Chlorobenzyl)-6-(((3-(dimethylamino)propyl)imino)methyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one
| Molecular Formula | C17H21ClN4OS |
|---|---|
| Molecular Weight | 364.11 g/mol |
| LogP | 3.04729 |
| Topological Polar Surface Area | 64.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 364.11246 |
| Heavy Atoms | 24 |
| Complexity | 808.5756 |
Chemical Identifiers
| CAS Number | 31349-12-9 |
|---|---|
| SMILES | CN(C)CCCN=CC1=C(C(=O)NC(=S)N1)CC2=CC=C(C=C2)Cl |
Product Overview
5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminome (CAS 31349-12-9), with molecular formula C17H21ClN4OS and molecular weight 364.11 g/mol. IUPAC: 5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminomethyl]-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminome
Property Insights of 5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminome
The XLogP value of 3.04729 indicates that 5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminome is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminome. Following Lipinski's Rule of Five, 5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminome has 2 hydrogen bond donor(s) and 4 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 5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminome?
The CAS number of 5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminome is 31349-12-9.
What is the molecular formula of 5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminome?
The molecular formula of 5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminome is C17H21ClN4OS.
What is the molecular weight of 5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminome?
The molecular weight of 5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminome is 364.11 g/mol.
Where can I buy 5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminome?
You can request a quote for 5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminome directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminome?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-chlorophenyl)methyl]-6-[3-(dimethylamino)propyliminome and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.