![5,6-Dihydrobenzo[h]cinnolin-3-yl 2-methylbenzyl sulfide structure](/static/products/478/478047-89-1.png)
5,6-Dihydrobenzo[h]cinnolin-3-yl 2-methylbenzyl sulfide
TL;DR: 5,6-Dihydrobenzo[h]cinnolin-3-yl 2-methylbenzyl sulfide (CAS 478047-89-1) is a chemical compound with molecular formula C20H18N2S and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methylphenyl)methylsulfanyl]-5,6-dihydrobenzo[h]cinnoline
Also Known As: 5,6-dihydrobenzo[h]cinnolin-3-yl 2-methylbenzyl sulfide, 3-{[(2-methylphenyl)methyl]sulfanyl}-5H,6H-benzo[h]cinnoline, 3-[(2-methylphenyl)methylsulfanyl]-5,6-dihydrobenzo[h]cinnoline, 4R-1247
| Molecular Formula | C20H18N2S |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 4.84292 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.11908 |
| Heavy Atoms | 23 |
| Complexity | 857.76544 |
Chemical Identifiers
| CAS Number | 478047-89-1 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC2=NN=C3C(=C2)CCC4=CC=CC=C43 |
Product Overview
5,6-Dihydrobenzo[h]cinnolin-3-yl 2-methylbenzyl sulfide (CAS 478047-89-1), with molecular formula C20H18N2S and molecular weight 318.12 g/mol. IUPAC: 3-[(2-methylphenyl)methylsulfanyl]-5,6-dihydrobenzo[h]cinnoline.
Chemical Property Profile of 5,6-Dihydrobenzo[h]cinnolin-3-yl 2-methylbenzyl sulfide
Property Insights of 5,6-Dihydrobenzo[h]cinnolin-3-yl 2-methylbenzyl sulfide
The XLogP value of 4.84292 indicates that 5,6-Dihydrobenzo[h]cinnolin-3-yl 2-methylbenzyl 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, 5,6-Dihydrobenzo[h]cinnolin-3-yl 2-methylbenzyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Dihydrobenzo[h]cinnolin-3-yl 2-methylbenzyl sulfide has 0 hydrogen bond donor(s) and 3 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 5,6-Dihydrobenzo[h]cinnolin-3-yl 2-methylbenzyl sulfide?
The CAS number of 5,6-Dihydrobenzo[h]cinnolin-3-yl 2-methylbenzyl sulfide is 478047-89-1.
What is the molecular formula of 5,6-Dihydrobenzo[h]cinnolin-3-yl 2-methylbenzyl sulfide?
The molecular formula of 5,6-Dihydrobenzo[h]cinnolin-3-yl 2-methylbenzyl sulfide is C20H18N2S.
What is the molecular weight of 5,6-Dihydrobenzo[h]cinnolin-3-yl 2-methylbenzyl sulfide?
The molecular weight of 5,6-Dihydrobenzo[h]cinnolin-3-yl 2-methylbenzyl sulfide is 318.12 g/mol.
Where can I buy 5,6-Dihydrobenzo[h]cinnolin-3-yl 2-methylbenzyl sulfide?
You can request a quote for 5,6-Dihydrobenzo[h]cinnolin-3-yl 2-methylbenzyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dihydrobenzo[h]cinnolin-3-yl 2-methylbenzyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dihydrobenzo[h]cinnolin-3-yl 2-methylbenzyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.