![1-(2-Dimethylamino-ethyl)-3-(4-fluoro-phenyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene -2,4-dione structure](/static/products/899/899389-48-1.png)
1-(2-Dimethylamino-ethyl)-3-(4-fluoro-phenyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene -2,4-dione
TL;DR: 1-(2-Dimethylamino-ethyl)-3-(4-fluoro-phenyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene -2,4-dione (CAS 899389-48-1) is a chemical compound with molecular formula C21H24FN3O2S and molecular weight 401.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione
Also Known As: 1-(2-Dimethylamino-ethyl)-3-(4-fluoro-phenyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene -2,4-dione, 1-(2-(dimethylamino)ethyl)-3-(4-fluorophenyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione, 1-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione, 1-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidine-2,4-dione, 1-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidine-2,4-quinone
| Molecular Formula | C21H24FN3O2S |
|---|---|
| Molecular Weight | 401.16 g/mol |
| LogP | 3.1835 |
| Topological Polar Surface Area | 47.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.15732 |
| Heavy Atoms | 28 |
| Complexity | 1125.7338 |
Chemical Identifiers
| CAS Number | 899389-48-1 |
|---|---|
| SMILES | CN(C)CCN1C2=C(C3=C(S2)CCCCC3)C(=O)N(C1=O)C4=CC=C(C=C4)F |
Product Overview
1-(2-Dimethylamino-ethyl)-3-(4-fluoro-phenyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene -2,4-dione (CAS 899389-48-1), with molecular formula C21H24FN3O2S and molecular weight 401.16 g/mol. IUPAC: 6-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione.
Chemical Property Profile of 1-(2-Dimethylamino-ethyl)-3-(4-fluoro-phenyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene -2,4-dione
Property Insights of 1-(2-Dimethylamino-ethyl)-3-(4-fluoro-phenyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene -2,4-dione
The XLogP value of 3.1835 indicates that 1-(2-Dimethylamino-ethyl)-3-(4-fluoro-phenyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene -2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.24 Ų, 1-(2-Dimethylamino-ethyl)-3-(4-fluoro-phenyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene -2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Dimethylamino-ethyl)-3-(4-fluoro-phenyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene -2,4-dione has 0 hydrogen bond donor(s) and 4 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-(2-Dimethylamino-ethyl)-3-(4-fluoro-phenyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene -2,4-dione?
The CAS number of 1-(2-Dimethylamino-ethyl)-3-(4-fluoro-phenyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene -2,4-dione is 899389-48-1.
What is the molecular formula of 1-(2-Dimethylamino-ethyl)-3-(4-fluoro-phenyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene -2,4-dione?
The molecular formula of 1-(2-Dimethylamino-ethyl)-3-(4-fluoro-phenyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene -2,4-dione is C21H24FN3O2S.
What is the molecular weight of 1-(2-Dimethylamino-ethyl)-3-(4-fluoro-phenyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene -2,4-dione?
The molecular weight of 1-(2-Dimethylamino-ethyl)-3-(4-fluoro-phenyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene -2,4-dione is 401.16 g/mol.
Where can I buy 1-(2-Dimethylamino-ethyl)-3-(4-fluoro-phenyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene -2,4-dione?
You can request a quote for 1-(2-Dimethylamino-ethyl)-3-(4-fluoro-phenyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene -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 1-(2-Dimethylamino-ethyl)-3-(4-fluoro-phenyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene -2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Dimethylamino-ethyl)-3-(4-fluoro-phenyl)-1,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulene -2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.