![9-(3-Chloro-phenyl)-10-(2-dimethylamino-ethylamino)-2,2,5-trimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6, 9,11-triaza-benzo[c]fluoren-8-one structure](/static/products/896/896842-41-4.png)
9-(3-Chloro-phenyl)-10-(2-dimethylamino-ethylamino)-2,2,5-trimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6, 9,11-triaza-benzo[c]fluoren-8-one
TL;DR: 9-(3-Chloro-phenyl)-10-(2-dimethylamino-ethylamino)-2,2,5-trimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6, 9,11-triaza-benzo[c]fluoren-8-one (CAS 896842-41-4) is a chemical compound with molecular formula C25H28ClN5O2S and molecular weight 497.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-(3-chlorophenyl)-15-[2-(dimethylamino)ethylamino]-4,4,8-trimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),15-pentaen-13-one
Also Known As: 9-(3-Chloro-phenyl)-10-(2-dimethylamino-ethylamino)-2,2,5-trimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6, 9,11-triaza-benzo[c]fluoren-8-one, 9-(3-chlorophenyl)-10-((2-(dimethylamino)ethyl)amino)-2,2,5-trimethyl-4,9-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(2H)-one, 9-(3-chlorophenyl)-10-{[2-(dimethylamino)ethyl]amino}-2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8(9H)-one
| Molecular Formula | C25H28ClN5O2S |
|---|---|
| Molecular Weight | 497.17 g/mol |
| LogP | 4.78202 |
| Topological Polar Surface Area | 72.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.16522 |
| Heavy Atoms | 34 |
| Complexity | 1474.2059 |
Chemical Identifiers
| CAS Number | 896842-41-4 |
|---|---|
| SMILES | CC1=C2COC(CC2=C3C4=C(C(=O)N(C(=N4)NCCN(C)C)C5=CC(=CC=C5)Cl)SC3=N1)(C)C |
Product Overview
9-(3-Chloro-phenyl)-10-(2-dimethylamino-ethylamino)-2,2,5-trimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6, 9,11-triaza-benzo[c]fluoren-8-one (CAS 896842-41-4), with molecular formula C25H28ClN5O2S and molecular weight 497.17 g/mol. IUPAC: 14-(3-chlorophenyl)-15-[2-(dimethylamino)ethylamino]-4,4,8-trimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),15-pentaen-13-one.
Chemical Property Profile of 9-(3-Chloro-phenyl)-10-(2-dimethylamino-ethylamino)-2,2,5-trimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6, 9,11-triaza-benzo[c]fluoren-8-one
Property Insights of 9-(3-Chloro-phenyl)-10-(2-dimethylamino-ethylamino)-2,2,5-trimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6, 9,11-triaza-benzo[c]fluoren-8-one
The XLogP value of 4.78202 indicates that 9-(3-Chloro-phenyl)-10-(2-dimethylamino-ethylamino)-2,2,5-trimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6, 9,11-triaza-benzo[c]fluoren-8-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(3-Chloro-phenyl)-10-(2-dimethylamino-ethylamino)-2,2,5-trimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6, 9,11-triaza-benzo[c]fluoren-8-one. Following Lipinski's Rule of Five, 9-(3-Chloro-phenyl)-10-(2-dimethylamino-ethylamino)-2,2,5-trimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6, 9,11-triaza-benzo[c]fluoren-8-one has 1 hydrogen bond donor(s) and 7 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 9-(3-Chloro-phenyl)-10-(2-dimethylamino-ethylamino)-2,2,5-trimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6, 9,11-triaza-benzo[c]fluoren-8-one?
The CAS number of 9-(3-Chloro-phenyl)-10-(2-dimethylamino-ethylamino)-2,2,5-trimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6, 9,11-triaza-benzo[c]fluoren-8-one is 896842-41-4.
What is the molecular formula of 9-(3-Chloro-phenyl)-10-(2-dimethylamino-ethylamino)-2,2,5-trimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6, 9,11-triaza-benzo[c]fluoren-8-one?
The molecular formula of 9-(3-Chloro-phenyl)-10-(2-dimethylamino-ethylamino)-2,2,5-trimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6, 9,11-triaza-benzo[c]fluoren-8-one is C25H28ClN5O2S.
What is the molecular weight of 9-(3-Chloro-phenyl)-10-(2-dimethylamino-ethylamino)-2,2,5-trimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6, 9,11-triaza-benzo[c]fluoren-8-one?
The molecular weight of 9-(3-Chloro-phenyl)-10-(2-dimethylamino-ethylamino)-2,2,5-trimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6, 9,11-triaza-benzo[c]fluoren-8-one is 497.17 g/mol.
Where can I buy 9-(3-Chloro-phenyl)-10-(2-dimethylamino-ethylamino)-2,2,5-trimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6, 9,11-triaza-benzo[c]fluoren-8-one?
You can request a quote for 9-(3-Chloro-phenyl)-10-(2-dimethylamino-ethylamino)-2,2,5-trimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6, 9,11-triaza-benzo[c]fluoren-8-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(3-Chloro-phenyl)-10-(2-dimethylamino-ethylamino)-2,2,5-trimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6, 9,11-triaza-benzo[c]fluoren-8-one?
Yes, KEHONG BIO provides custom synthesis services for 9-(3-Chloro-phenyl)-10-(2-dimethylamino-ethylamino)-2,2,5-trimethyl-1,4-dihydro-2H,9H-3-oxa-7-thia-6, 9,11-triaza-benzo[c]fluoren-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.