![9-methyl-2-[(3-nitrobenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine structure](/static/products/4782/478246-83-2.webp)
9-methyl-2-[(3-nitrobenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine
TL;DR: 9-methyl-2-[(3-nitrobenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine (CAS 478246-83-2) is a chemical compound with molecular formula C19H15N3O2S2 and molecular weight 381.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-2-[(3-nitrophenyl)methylsulfanyl]-5H-thiochromeno[4,3-d]pyrimidine
Also Known As: Bionet1_003226, 9-methyl-2-[(3-nitrobenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine, 9N-321S, 9-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-5H-thiochromeno[4,3-d]pyrimidine, 9-methyl-2-[(3-nitrophenyl)methylsulfanyl]-5H-thiochromeno[4,3-d]pyrimidine
| Molecular Formula | C19H15N3O2S2 |
|---|---|
| Molecular Weight | 381.06 g/mol |
| LogP | 5.25822 |
| Topological Polar Surface Area | 68.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.06058 |
| Heavy Atoms | 26 |
| Complexity | 1007.82446 |
Chemical Identifiers
| CAS Number | 478246-83-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SCC3=CN=C(N=C32)SCC4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
9-methyl-2-[(3-nitrobenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine (CAS 478246-83-2), with molecular formula C19H15N3O2S2 and molecular weight 381.06 g/mol. IUPAC: 9-methyl-2-[(3-nitrophenyl)methylsulfanyl]-5H-thiochromeno[4,3-d]pyrimidine.
Chemical Property Profile of 9-methyl-2-[(3-nitrobenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine
Property Insights of 9-methyl-2-[(3-nitrobenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine
The XLogP value of 5.25822 indicates that 9-methyl-2-[(3-nitrobenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-methyl-2-[(3-nitrobenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine. Following Lipinski's Rule of Five, 9-methyl-2-[(3-nitrobenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine has 0 hydrogen bond donor(s) and 6 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-nitrobenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine?
The CAS number of 9-methyl-2-[(3-nitrobenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine is 478246-83-2.
What is the molecular formula of 9-methyl-2-[(3-nitrobenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine?
The molecular formula of 9-methyl-2-[(3-nitrobenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine is C19H15N3O2S2.
What is the molecular weight of 9-methyl-2-[(3-nitrobenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine?
The molecular weight of 9-methyl-2-[(3-nitrobenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine is 381.06 g/mol.
Where can I buy 9-methyl-2-[(3-nitrobenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine?
You can request a quote for 9-methyl-2-[(3-nitrobenzyl)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-nitrobenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 9-methyl-2-[(3-nitrobenzyl)sulfanyl]-5H-thiochromeno[4,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.