![2-(benzylsulfanyl)-9-methyl-5H-thiochromeno[4,3-d]pyrimidine structure](/static/products/4782/478246-74-1.webp)
2-(benzylsulfanyl)-9-methyl-5H-thiochromeno[4,3-d]pyrimidine
TL;DR: 2-(benzylsulfanyl)-9-methyl-5H-thiochromeno[4,3-d]pyrimidine (CAS 478246-74-1) is a chemical compound with molecular formula C19H16N2S2 and molecular weight 336.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-9-methyl-5H-thiochromeno[4,3-d]pyrimidine
Also Known As: 2-(benzylsulfanyl)-9-methyl-5H-thiochromeno[4,3-d]pyrimidine, 9N-307S, 2-benzylsulfanyl-9-methyl-5H-thiochromeno[4,3-d]pyrimidine
| Molecular Formula | C19H16N2S2 |
|---|---|
| Molecular Weight | 336.08 g/mol |
| LogP | 5.35002 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.0755 |
| Heavy Atoms | 23 |
| Complexity | 847.2434 |
Chemical Identifiers
| CAS Number | 478246-74-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SCC3=CN=C(N=C32)SCC4=CC=CC=C4 |
Product Overview
2-(benzylsulfanyl)-9-methyl-5H-thiochromeno[4,3-d]pyrimidine (CAS 478246-74-1), with molecular formula C19H16N2S2 and molecular weight 336.08 g/mol. IUPAC: 2-benzylsulfanyl-9-methyl-5H-thiochromeno[4,3-d]pyrimidine.
Chemical Property Profile of 2-(benzylsulfanyl)-9-methyl-5H-thiochromeno[4,3-d]pyrimidine
Property Insights of 2-(benzylsulfanyl)-9-methyl-5H-thiochromeno[4,3-d]pyrimidine
The XLogP value of 5.35002 indicates that 2-(benzylsulfanyl)-9-methyl-5H-thiochromeno[4,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 2-(benzylsulfanyl)-9-methyl-5H-thiochromeno[4,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-9-methyl-5H-thiochromeno[4,3-d]pyrimidine 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 2-(benzylsulfanyl)-9-methyl-5H-thiochromeno[4,3-d]pyrimidine?
The CAS number of 2-(benzylsulfanyl)-9-methyl-5H-thiochromeno[4,3-d]pyrimidine is 478246-74-1.
What is the molecular formula of 2-(benzylsulfanyl)-9-methyl-5H-thiochromeno[4,3-d]pyrimidine?
The molecular formula of 2-(benzylsulfanyl)-9-methyl-5H-thiochromeno[4,3-d]pyrimidine is C19H16N2S2.
What is the molecular weight of 2-(benzylsulfanyl)-9-methyl-5H-thiochromeno[4,3-d]pyrimidine?
The molecular weight of 2-(benzylsulfanyl)-9-methyl-5H-thiochromeno[4,3-d]pyrimidine is 336.08 g/mol.
Where can I buy 2-(benzylsulfanyl)-9-methyl-5H-thiochromeno[4,3-d]pyrimidine?
You can request a quote for 2-(benzylsulfanyl)-9-methyl-5H-thiochromeno[4,3-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylsulfanyl)-9-methyl-5H-thiochromeno[4,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-9-methyl-5H-thiochromeno[4,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.