![1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-phenylthiourea structure](/static/products/6128/61281-35-4.webp)
1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-phenylthiourea
TL;DR: 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-phenylthiourea (CAS 61281-35-4) is a chemical compound with molecular formula C28H30N2O4S2 and molecular weight 522.16 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-phenylthiourea
Also Known As: 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-phenylthiourea, N-[10-(Ethylsulfanyl)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]-N'-phenylthiourea
| Molecular Formula | C28H30N2O4S2 |
|---|---|
| Molecular Weight | 522.16 g/mol |
| LogP | 5.8255 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.1647 |
| Heavy Atoms | 36 |
| Complexity | 1315.1716 |
Chemical Identifiers
| CAS Number | 61281-35-4 |
|---|---|
| SMILES | CCSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=S)NC4=CC=CC=C4 |
Product Overview
1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-phenylthiourea (CAS 61281-35-4), with molecular formula C28H30N2O4S2 and molecular weight 522.16 g/mol. IUPAC: 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-phenylthiourea.
Chemical Property Profile of 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-phenylthiourea
Property Insights of 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-phenylthiourea
The XLogP value of 5.8255 indicates that 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-phenylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 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-phenylthiourea. 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-phenylthiourea has 2 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 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-phenylthiourea?
The CAS number of 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-phenylthiourea is 61281-35-4.
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-phenylthiourea?
The molecular formula of 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-phenylthiourea is C28H30N2O4S2.
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-phenylthiourea?
The molecular weight of 1-(10-ethylsulfanyl-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-3-phenylthiourea is 522.16 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-phenylthiourea?
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-phenylthiourea 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-phenylthiourea?
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-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.