![3-(4-Methoxy-phenyl)-1-(2-morpholin-4-yl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azule ne-2,4-dione structure](/static/products/896/896850-80-9.png)
3-(4-Methoxy-phenyl)-1-(2-morpholin-4-yl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azule ne-2,4-dione
TL;DR: 3-(4-Methoxy-phenyl)-1-(2-morpholin-4-yl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azule ne-2,4-dione (CAS 896850-80-9) is a chemical compound with molecular formula C24H29N3O4S and molecular weight 455.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-6-(2-morpholin-4-ylethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione
Also Known As: 3-(4-Methoxy-phenyl)-1-(2-morpholin-4-yl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azule ne-2,4-dione, 3-(4-methoxyphenyl)-1-(2-morpholinoethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione, 3-(4-methoxyphenyl)-1-[2-(morpholin-4-yl)ethyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
| Molecular Formula | C24H29N3O4S |
|---|---|
| Molecular Weight | 455.19 g/mol |
| LogP | 2.8236 |
| Topological Polar Surface Area | 65.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.18787 |
| Heavy Atoms | 32 |
| Complexity | 1219.2457 |
Chemical Identifiers
| CAS Number | 896850-80-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N(C2=O)CCN4CCOCC4)SC5=C3CCCCC5 |
Product Overview
3-(4-Methoxy-phenyl)-1-(2-morpholin-4-yl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azule ne-2,4-dione (CAS 896850-80-9), with molecular formula C24H29N3O4S and molecular weight 455.19 g/mol. IUPAC: 4-(4-methoxyphenyl)-6-(2-morpholin-4-ylethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione.
Chemical Property Profile of 3-(4-Methoxy-phenyl)-1-(2-morpholin-4-yl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azule ne-2,4-dione
Property Insights of 3-(4-Methoxy-phenyl)-1-(2-morpholin-4-yl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azule ne-2,4-dione
The XLogP value of 2.8236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methoxy-phenyl)-1-(2-morpholin-4-yl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azule ne-2,4-dione. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methoxy-phenyl)-1-(2-morpholin-4-yl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azule ne-2,4-dione. Following Lipinski's Rule of Five, 3-(4-Methoxy-phenyl)-1-(2-morpholin-4-yl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azule ne-2,4-dione 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 3-(4-Methoxy-phenyl)-1-(2-morpholin-4-yl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azule ne-2,4-dione?
The CAS number of 3-(4-Methoxy-phenyl)-1-(2-morpholin-4-yl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azule ne-2,4-dione is 896850-80-9.
What is the molecular formula of 3-(4-Methoxy-phenyl)-1-(2-morpholin-4-yl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azule ne-2,4-dione?
The molecular formula of 3-(4-Methoxy-phenyl)-1-(2-morpholin-4-yl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azule ne-2,4-dione is C24H29N3O4S.
What is the molecular weight of 3-(4-Methoxy-phenyl)-1-(2-morpholin-4-yl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azule ne-2,4-dione?
The molecular weight of 3-(4-Methoxy-phenyl)-1-(2-morpholin-4-yl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azule ne-2,4-dione is 455.19 g/mol.
Where can I buy 3-(4-Methoxy-phenyl)-1-(2-morpholin-4-yl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azule ne-2,4-dione?
You can request a quote for 3-(4-Methoxy-phenyl)-1-(2-morpholin-4-yl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azule ne-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methoxy-phenyl)-1-(2-morpholin-4-yl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azule ne-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxy-phenyl)-1-(2-morpholin-4-yl-ethyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azule ne-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.