![7-{[(4-Methylphenyl)sulfonyl]methyl}-7,8-dihydro[1,4]thiazino[4,3,2-gh]purine structure](/static/products/6972/697246-07-4.webp)
7-{[(4-Methylphenyl)sulfonyl]methyl}-7,8-dihydro[1,4]thiazino[4,3,2-gh]purine
TL;DR: 7-{[(4-Methylphenyl)sulfonyl]methyl}-7,8-dihydro[1,4]thiazino[4,3,2-gh]purine (CAS 697246-07-4) is a chemical compound with molecular formula C15H14N4O2S2 and molecular weight 346.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[(4-methylphenyl)sulfonylmethyl]-9-thia-1,3,5,7-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene
Also Known As: ChemDiv3_006838, IDI1_024748, 7-{[(4-methylphenyl)sulfonyl]methyl}-7,8-dihydro[1,4]thiazino[4,3,2-gh]purine, 7-(tosylmethyl)-7,8-dihydro-[1,4]thiazino[4,3,2-gh]purine, AP-853/42402795
| Molecular Formula | C15H14N4O2S2 |
|---|---|
| Molecular Weight | 346.06 g/mol |
| LogP | 2.25542 |
| Topological Polar Surface Area | 77.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.05582 |
| Heavy Atoms | 23 |
| Complexity | 980.38446 |
Chemical Identifiers
| CAS Number | 697246-07-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC2CSC3=NC=NC4=C3N2C=N4 |
Product Overview
7-{[(4-Methylphenyl)sulfonyl]methyl}-7,8-dihydro[1,4]thiazino[4,3,2-gh]purine (CAS 697246-07-4), with molecular formula C15H14N4O2S2 and molecular weight 346.06 g/mol. IUPAC: 11-[(4-methylphenyl)sulfonylmethyl]-9-thia-1,3,5,7-tetrazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene.
Chemical Property Profile of 7-{[(4-Methylphenyl)sulfonyl]methyl}-7,8-dihydro[1,4]thiazino[4,3,2-gh]purine
Property Insights of 7-{[(4-Methylphenyl)sulfonyl]methyl}-7,8-dihydro[1,4]thiazino[4,3,2-gh]purine
The XLogP value of 2.25542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-{[(4-Methylphenyl)sulfonyl]methyl}-7,8-dihydro[1,4]thiazino[4,3,2-gh]purine. The TPSA of 77.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-{[(4-Methylphenyl)sulfonyl]methyl}-7,8-dihydro[1,4]thiazino[4,3,2-gh]purine. Following Lipinski's Rule of Five, 7-{[(4-Methylphenyl)sulfonyl]methyl}-7,8-dihydro[1,4]thiazino[4,3,2-gh]purine has 0 hydrogen bond donor(s) and 6 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 7-{[(4-Methylphenyl)sulfonyl]methyl}-7,8-dihydro[1,4]thiazino[4,3,2-gh]purine?
The CAS number of 7-{[(4-Methylphenyl)sulfonyl]methyl}-7,8-dihydro[1,4]thiazino[4,3,2-gh]purine is 697246-07-4.
What is the molecular formula of 7-{[(4-Methylphenyl)sulfonyl]methyl}-7,8-dihydro[1,4]thiazino[4,3,2-gh]purine?
The molecular formula of 7-{[(4-Methylphenyl)sulfonyl]methyl}-7,8-dihydro[1,4]thiazino[4,3,2-gh]purine is C15H14N4O2S2.
What is the molecular weight of 7-{[(4-Methylphenyl)sulfonyl]methyl}-7,8-dihydro[1,4]thiazino[4,3,2-gh]purine?
The molecular weight of 7-{[(4-Methylphenyl)sulfonyl]methyl}-7,8-dihydro[1,4]thiazino[4,3,2-gh]purine is 346.06 g/mol.
Where can I buy 7-{[(4-Methylphenyl)sulfonyl]methyl}-7,8-dihydro[1,4]thiazino[4,3,2-gh]purine?
You can request a quote for 7-{[(4-Methylphenyl)sulfonyl]methyl}-7,8-dihydro[1,4]thiazino[4,3,2-gh]purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-{[(4-Methylphenyl)sulfonyl]methyl}-7,8-dihydro[1,4]thiazino[4,3,2-gh]purine?
Yes, KEHONG BIO provides custom synthesis services for 7-{[(4-Methylphenyl)sulfonyl]methyl}-7,8-dihydro[1,4]thiazino[4,3,2-gh]purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.