![9-methyl-2-[(3-methylbenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine structure](/static/products/4782/478246-86-5.webp)
9-methyl-2-[(3-methylbenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine
TL;DR: 9-methyl-2-[(3-methylbenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine (CAS 478246-86-5) is a chemical compound with molecular formula C20H18N2S2 and molecular weight 350.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-2-[(3-methylphenyl)methylsulfanyl]-5H-thiochromeno[4,3-d]pyrimidine
Also Known As: Bionet1_003230, 9N-324S, 9-methyl-2-[(3-methylbenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine, 9-methyl-2-[(3-methylphenyl)methylsulfanyl]-5H-thiochromeno[4,3-d]pyrimidine, 9-methyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5H-thiochromeno[4,3-d]pyrimidine
| Molecular Formula | C20H18N2S2 |
|---|---|
| Molecular Weight | 350.09 g/mol |
| LogP | 5.65844 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.09116 |
| Heavy Atoms | 24 |
| Complexity | 905.89075 |
Chemical Identifiers
| CAS Number | 478246-86-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=NC=C3CSC4=C(C3=N2)C=C(C=C4)C |
Product Overview
9-methyl-2-[(3-methylbenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine (CAS 478246-86-5), with molecular formula C20H18N2S2 and molecular weight 350.09 g/mol. IUPAC: 9-methyl-2-[(3-methylphenyl)methylsulfanyl]-5H-thiochromeno[4,3-d]pyrimidine.
Chemical Property Profile of 9-methyl-2-[(3-methylbenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine
Property Insights of 9-methyl-2-[(3-methylbenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine
The XLogP value of 5.65844 indicates that 9-methyl-2-[(3-methylbenzyl)sulfanyl]-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, 9-methyl-2-[(3-methylbenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-methyl-2-[(3-methylbenzyl)sulfanyl]-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 9-methyl-2-[(3-methylbenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine?
The CAS number of 9-methyl-2-[(3-methylbenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine is 478246-86-5.
What is the molecular formula of 9-methyl-2-[(3-methylbenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine?
The molecular formula of 9-methyl-2-[(3-methylbenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine is C20H18N2S2.
What is the molecular weight of 9-methyl-2-[(3-methylbenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine?
The molecular weight of 9-methyl-2-[(3-methylbenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine is 350.09 g/mol.
Where can I buy 9-methyl-2-[(3-methylbenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine?
You can request a quote for 9-methyl-2-[(3-methylbenzyl)sulfanyl]-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 9-methyl-2-[(3-methylbenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 9-methyl-2-[(3-methylbenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.