![2-(3-Dimethylamino-propylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one structure](/static/products/899/899386-77-7.png)
2-(3-Dimethylamino-propylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one
TL;DR: 2-(3-Dimethylamino-propylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one (CAS 899386-77-7) is a chemical compound with molecular formula C24H32N4OS and molecular weight 424.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(dimethylamino)propylamino]-4-(2-phenylethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: 2-(3-Dimethylamino-propylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one, 2-((3-(dimethylamino)propyl)amino)-3-phenethyl-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 2-[3-(dimethylamino)propylamino]-3-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one, 2-[3-(dimethylamino)propylamino]-3-phenethyl-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one, 2-{[3-(dimethylamino)propyl]amino}-3-(2-phenylethyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C24H32N4OS |
|---|---|
| Molecular Weight | 424.23 g/mol |
| LogP | 4.3332 |
| Topological Polar Surface Area | 50.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 424.22968 |
| Heavy Atoms | 30 |
| Complexity | 1038.7808 |
Chemical Identifiers
| CAS Number | 899386-77-7 |
|---|---|
| SMILES | CN(C)CCCNC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1CCC4=CC=CC=C4 |
Product Overview
2-(3-Dimethylamino-propylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one (CAS 899386-77-7), with molecular formula C24H32N4OS and molecular weight 424.23 g/mol. IUPAC: 5-[3-(dimethylamino)propylamino]-4-(2-phenylethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 2-(3-Dimethylamino-propylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one
Property Insights of 2-(3-Dimethylamino-propylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one
The XLogP value of 4.3332 indicates that 2-(3-Dimethylamino-propylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.16 Ų, 2-(3-Dimethylamino-propylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Dimethylamino-propylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one has 1 hydrogen bond donor(s) and 5 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 2-(3-Dimethylamino-propylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one?
The CAS number of 2-(3-Dimethylamino-propylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one is 899386-77-7.
What is the molecular formula of 2-(3-Dimethylamino-propylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one?
The molecular formula of 2-(3-Dimethylamino-propylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one is C24H32N4OS.
What is the molecular weight of 2-(3-Dimethylamino-propylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one?
The molecular weight of 2-(3-Dimethylamino-propylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one is 424.23 g/mol.
Where can I buy 2-(3-Dimethylamino-propylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one?
You can request a quote for 2-(3-Dimethylamino-propylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Dimethylamino-propylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Dimethylamino-propylamino)-3-phenethyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen -4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.