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9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl propyl sulfide
TL;DR: 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl propyl sulfide (CAS 478246-89-8) is a chemical compound with molecular formula C15H16N2S2 and molecular weight 288.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-2-propylsulfanyl-5H-thiochromeno[4,3-d]pyrimidine
Also Known As: 9N-328S, 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl propyl sulfide, 9-methyl-2-propylsulfanyl-5H-thiochromeno[4,3-d]pyrimidine, 9-methyl-2-(propylsulfanyl)-5H-thiochromeno[4,3-d]pyrimidine
| Molecular Formula | C15H16N2S2 |
|---|---|
| Molecular Weight | 288.08 g/mol |
| LogP | 4.55982 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.0755 |
| Heavy Atoms | 19 |
| Complexity | 611.0897 |
Chemical Identifiers
| CAS Number | 478246-89-8 |
|---|---|
| SMILES | CCCSC1=NC=C2CSC3=C(C2=N1)C=C(C=C3)C |
Product Overview
9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl propyl sulfide (CAS 478246-89-8), with molecular formula C15H16N2S2 and molecular weight 288.08 g/mol. IUPAC: 9-methyl-2-propylsulfanyl-5H-thiochromeno[4,3-d]pyrimidine.
Chemical Property Profile of 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl propyl sulfide
Property Insights of 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl propyl sulfide
The XLogP value of 4.55982 indicates that 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl propyl 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, 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl propyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl propyl sulfide has 0 hydrogen bond donor(s) and 4 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 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl propyl sulfide?
The CAS number of 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl propyl sulfide is 478246-89-8.
What is the molecular formula of 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl propyl sulfide?
The molecular formula of 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl propyl sulfide is C15H16N2S2.
What is the molecular weight of 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl propyl sulfide?
The molecular weight of 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl propyl sulfide is 288.08 g/mol.
Where can I buy 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl propyl sulfide?
You can request a quote for 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl propyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl propyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl propyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.