![1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methylurea structure](/static/products/6128/61281-34-3.webp)
1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methylurea
TL;DR: 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methylurea (CAS 61281-34-3) is a chemical compound with molecular formula C23H28N2O5S and molecular weight 444.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methylurea
Also Known As: 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methylurea, N-[10-(Ethylsulfanyl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]-N'-methylurea
| Molecular Formula | C23H28N2O5S |
|---|---|
| Molecular Weight | 444.17 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.1719 |
| Heavy Atoms | 31 |
| Complexity | 778.0 |
Chemical Identifiers
| CAS Number | 61281-34-3 |
|---|---|
| SMILES | CCSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)NC |
| InChIKey | JMPXVDPLRANWNO-UHFFFAOYSA-N |
Product Overview
1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methylurea (CAS 61281-34-3), with molecular formula C23H28N2O5S and molecular weight 444.17 g/mol. IUPAC: 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methylurea.
Chemical Property Profile of 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methylurea
Property Insights of 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methylurea
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methylurea. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methylurea. Following Lipinski's Rule of Five, 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methylurea has 2 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 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methylurea?
The CAS number of 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methylurea is 61281-34-3.
What is the molecular formula of 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methylurea?
The molecular formula of 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methylurea is C23H28N2O5S.
What is the molecular weight of 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methylurea?
The molecular weight of 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methylurea is 444.17 g/mol.
Where can I buy 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methylurea?
You can request a quote for 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-methylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.