RefChem:449285
TL;DR: RefChem:449285 (CAS 499124-37-7) is a chemical compound with molecular formula C25H24N2OS2 and molecular weight 432.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 2-((4-Methylbenzyl)thio)-3-(p-tolyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[(4-methylbenzyl)sulfanyl]-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-((4-Methylbenzyl)sulfanyl)-3-(4-methylphenyl)-5,6,7,8-tetrahydro(1)benzothieno(2,3-D)pyrimidin-4(3H)-one, 3-(4-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-(4-methylphenyl)-2-[(4-methylphenyl)methylthio]-3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-4-one
| Molecular Formula | C25H24N2OS2 |
|---|---|
| Molecular Weight | 432.13 g/mol |
| LogP | 6.23514 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.133 |
| Heavy Atoms | 30 |
| Complexity | 1267.9904 |
Chemical Identifiers
| CAS Number | 499124-37-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)C |
Product Overview
RefChem:449285 (CAS 499124-37-7), with molecular formula C25H24N2OS2 and molecular weight 432.13 g/mol. IUPAC: 3-(4-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of RefChem:449285
Property Insights of RefChem:449285
The XLogP value of 6.23514 indicates that RefChem:449285 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:449285 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:449285 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:449285?
The CAS number of RefChem:449285 is 499124-37-7.
What is the molecular formula of RefChem:449285?
The molecular formula of RefChem:449285 is C25H24N2OS2.
What is the molecular weight of RefChem:449285?
The molecular weight of RefChem:449285 is 432.13 g/mol.
Where can I buy RefChem:449285?
You can request a quote for RefChem:449285 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449285?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449285 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.