RefChem:528558
TL;DR: RefChem:528558 (CAS 325700-59-2) is a chemical compound with molecular formula C18H18N2O2S2 and molecular weight 358.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyethylsulfanyl)-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: IFLab1_003761, 5-[(2-Hydroxyethyl)sulfanyl]-4-phenyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one, IDI1_009868, 2-(2-hydroxyethylsulfanyl)-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-(2-Hydroxy-ethylsulfanyl)-3-phenyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C18H18N2O2S2 |
|---|---|
| Molecular Weight | 358.08 g/mol |
| LogP | 3.4104 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.08096 |
| Heavy Atoms | 24 |
| Complexity | 931.58203 |
Chemical Identifiers
| CAS Number | 325700-59-2 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCCO |
Product Overview
RefChem:528558 (CAS 325700-59-2), with molecular formula C18H18N2O2S2 and molecular weight 358.08 g/mol. IUPAC: 2-(2-hydroxyethylsulfanyl)-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of RefChem:528558
Property Insights of RefChem:528558
The XLogP value of 3.4104 indicates that RefChem:528558 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, RefChem:528558 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:528558 has 1 hydrogen bond donor(s) and 5 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:528558?
The CAS number of RefChem:528558 is 325700-59-2.
What is the molecular formula of RefChem:528558?
The molecular formula of RefChem:528558 is C18H18N2O2S2.
What is the molecular weight of RefChem:528558?
The molecular weight of RefChem:528558 is 358.08 g/mol.
Where can I buy RefChem:528558?
You can request a quote for RefChem:528558 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:528558?
Yes, KEHONG BIO provides custom synthesis services for RefChem:528558 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.