![allyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide structure](/static/products/4782/478246-77-4.webp)
allyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide
TL;DR: allyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide (CAS 478246-77-4) is a chemical compound with molecular formula C15H14N2S2 and molecular weight 286.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-2-prop-2-enylsulfanyl-5H-thiochromeno[4,3-d]pyrimidine
Also Known As: 9N-312S, allyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide, 9-methyl-2-prop-2-enylsulfanyl-5H-thiochromeno[4,3-d]pyrimidine, 9-methyl-2-(prop-2-en-1-ylsulfanyl)-5H-thiochromeno[4,3-d]pyrimidine
| Molecular Formula | C15H14N2S2 |
|---|---|
| Molecular Weight | 286.06 g/mol |
| LogP | 4.33582 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.05984 |
| Heavy Atoms | 19 |
| Complexity | 638.03784 |
Chemical Identifiers
| CAS Number | 478246-77-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SCC3=CN=C(N=C32)SCC=C |
Product Overview
allyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide (CAS 478246-77-4), with molecular formula C15H14N2S2 and molecular weight 286.06 g/mol. IUPAC: 9-methyl-2-prop-2-enylsulfanyl-5H-thiochromeno[4,3-d]pyrimidine.
Chemical Property Profile of allyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide
Property Insights of allyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide
The XLogP value of 4.33582 indicates that allyl 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, allyl 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, allyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl 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 allyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide?
The CAS number of allyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide is 478246-77-4.
What is the molecular formula of allyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide?
The molecular formula of allyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide is C15H14N2S2.
What is the molecular weight of allyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide?
The molecular weight of allyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide is 286.06 g/mol.
Where can I buy allyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide?
You can request a quote for allyl 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 allyl 9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for allyl 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.