RefChem:344588
TL;DR: RefChem:344588 (CAS 5675-17-2) is a chemical compound with molecular formula C18H18N2O2S and molecular weight 326.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-4-naphthalen-1-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: Ethyl 6-methyl-4-(1-naphthyl)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, BAS 00689493, BIM-0027871.P001, ethyl 6-methyl-4-(naphthalen-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate, F1011-1634
| Molecular Formula | C18H18N2O2S |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 3.1957 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.1089 |
| Heavy Atoms | 23 |
| Complexity | 808.2787 |
Chemical Identifiers
| CAS Number | 5675-17-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC3=CC=CC=C32)C |
Product Overview
RefChem:344588 (CAS 5675-17-2), with molecular formula C18H18N2O2S and molecular weight 326.11 g/mol. IUPAC: ethyl 6-methyl-4-naphthalen-1-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of RefChem:344588
Property Insights of RefChem:344588
The XLogP value of 3.1957 indicates that RefChem:344588 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, RefChem:344588 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:344588 has 2 hydrogen bond donor(s) and 3 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 RefChem:344588?
The CAS number of RefChem:344588 is 5675-17-2.
What is the molecular formula of RefChem:344588?
The molecular formula of RefChem:344588 is C18H18N2O2S.
What is the molecular weight of RefChem:344588?
The molecular weight of RefChem:344588 is 326.11 g/mol.
Where can I buy RefChem:344588?
You can request a quote for RefChem:344588 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:344588?
Yes, KEHONG BIO provides custom synthesis services for RefChem:344588 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.