![3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]-2-butanone structure](/static/products/4782/478246-90-1.webp)
3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]-2-butanone
TL;DR: 3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]-2-butanone (CAS 478246-90-1) is a chemical compound with molecular formula C16H16N2OS2 and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]butan-2-one
Also Known As: 3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]-2-butanone, 9N-329S, 3-({9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl}sulfanyl)butan-2-one, 3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]butan-2-one
| Molecular Formula | C16H16N2OS2 |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 4.12732 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0704 |
| Heavy Atoms | 21 |
| Complexity | 715.41833 |
Chemical Identifiers
| CAS Number | 478246-90-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SCC3=CN=C(N=C32)SC(C)C(=O)C |
Product Overview
3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]-2-butanone (CAS 478246-90-1), with molecular formula C16H16N2OS2 and molecular weight 316.07 g/mol. IUPAC: 3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]butan-2-one.
Chemical Property Profile of 3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]-2-butanone
Property Insights of 3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]-2-butanone
The XLogP value of 4.12732 indicates that 3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]-2-butanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, 3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]-2-butanone has 0 hydrogen bond donor(s) and 5 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 3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]-2-butanone?
The CAS number of 3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]-2-butanone is 478246-90-1.
What is the molecular formula of 3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]-2-butanone?
The molecular formula of 3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]-2-butanone is C16H16N2OS2.
What is the molecular weight of 3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]-2-butanone?
The molecular weight of 3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]-2-butanone is 316.07 g/mol.
Where can I buy 3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]-2-butanone?
You can request a quote for 3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 3-[(9-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-yl)sulfanyl]-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.