![4-fluorobenzyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide structure](/static/products/4782/478246-80-9.webp)
4-fluorobenzyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide
TL;DR: 4-fluorobenzyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide (CAS 478246-80-9) is a chemical compound with molecular formula C19H15FN2S2 and molecular weight 354.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)methylsulfanyl]-9-methyl-5H-thiochromeno[4,3-d]pyrimidine
Also Known As: Bionet1_003504, 9N-315S, 4-fluorobenzyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide, 2-{[(4-fluorophenyl)methyl]sulfanyl}-9-methyl-5H-thiochromeno[4,3-d]pyrimidine, 2-[(4-fluorophenyl)methylsulfanyl]-9-methyl-5H-thiochromeno[4,3-d]pyrimidine
| Molecular Formula | C19H15FN2S2 |
|---|---|
| Molecular Weight | 354.07 g/mol |
| LogP | 5.48912 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.06607 |
| Heavy Atoms | 24 |
| Complexity | 894.36865 |
Chemical Identifiers
| CAS Number | 478246-80-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SCC3=CN=C(N=C32)SCC4=CC=C(C=C4)F |
Product Overview
4-fluorobenzyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide (CAS 478246-80-9), with molecular formula C19H15FN2S2 and molecular weight 354.07 g/mol. IUPAC: 2-[(4-fluorophenyl)methylsulfanyl]-9-methyl-5H-thiochromeno[4,3-d]pyrimidine.
Chemical Property Profile of 4-fluorobenzyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide
Property Insights of 4-fluorobenzyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide
The XLogP value of 5.48912 indicates that 4-fluorobenzyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 4-fluorobenzyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-fluorobenzyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide 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 4-fluorobenzyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide?
The CAS number of 4-fluorobenzyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide is 478246-80-9.
What is the molecular formula of 4-fluorobenzyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide?
The molecular formula of 4-fluorobenzyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide is C19H15FN2S2.
What is the molecular weight of 4-fluorobenzyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide?
The molecular weight of 4-fluorobenzyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide is 354.07 g/mol.
Where can I buy 4-fluorobenzyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide?
You can request a quote for 4-fluorobenzyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-fluorobenzyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-fluorobenzyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.