RefChem:501309
TL;DR: RefChem:501309 (CAS 618879-75-7) is a chemical compound with molecular formula C23H22N2OS2 and molecular weight 406.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-(naphthalen-1-ylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 3-Ethyl-2-((naphthalen-1-ylmethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-ETHYL-2-[(1-NAPHTHYLMETHYL)SULFANYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, 3-ETHYL-2-((1-NAPHTHYLMETHYL)SULFANYL)-5,6,7,8-TETRAHYDRO(1)BENZOTHIENO(2,3-D)PYRIMIDIN-4(3H)-ONE, 3-ethyl-2-(naphthalen-1-ylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-ethyl-2-(naphthylmethylthio)-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyr imidin-4-one
| Molecular Formula | C23H22N2OS2 |
|---|---|
| Molecular Weight | 406.12 g/mol |
| LogP | 5.8022 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.11737 |
| Heavy Atoms | 28 |
| Complexity | 1233.5425 |
Chemical Identifiers
| CAS Number | 618879-75-7 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C1SCC3=CC=CC4=CC=CC=C43)SC5=C2CCCC5 |
Product Overview
RefChem:501309 (CAS 618879-75-7), with molecular formula C23H22N2OS2 and molecular weight 406.12 g/mol. IUPAC: 3-ethyl-2-(naphthalen-1-ylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of RefChem:501309
Property Insights of RefChem:501309
The XLogP value of 5.8022 indicates that RefChem:501309 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, RefChem:501309 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:501309 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:501309?
The CAS number of RefChem:501309 is 618879-75-7.
What is the molecular formula of RefChem:501309?
The molecular formula of RefChem:501309 is C23H22N2OS2.
What is the molecular weight of RefChem:501309?
The molecular weight of RefChem:501309 is 406.12 g/mol.
Where can I buy RefChem:501309?
You can request a quote for RefChem:501309 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:501309?
Yes, KEHONG BIO provides custom synthesis services for RefChem:501309 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.