![1-(2,2-Dimethoxy-ethylsulfanyl)-8,8-dimethyl-8,9-dihydro-6H-7,11-dioxa-2,4,10-triaza-benzo[b]fluorene structure](/static/products/896/896071-96-8.png)
1-(2,2-Dimethoxy-ethylsulfanyl)-8,8-dimethyl-8,9-dihydro-6H-7,11-dioxa-2,4,10-triaza-benzo[b]fluorene
TL;DR: 1-(2,2-Dimethoxy-ethylsulfanyl)-8,8-dimethyl-8,9-dihydro-6H-7,11-dioxa-2,4,10-triaza-benzo[b]fluorene (CAS 896071-96-8) is a chemical compound with molecular formula C18H21N3O4S and molecular weight 375.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-(2,2-dimethoxyethylsulfanyl)-5,5-dimethyl-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene
Also Known As: 1-(2,2-Dimethoxy-ethylsulfanyl)-8,8-dimethyl-8,9-dihydro-6H-7,11-dioxa-2,4,10-triaza-benzo[b]fluorene, 4-[(2,2-dimethoxyethyl)sulfanyl]-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidine, 15-(2,2-dimethoxyethylsulfanyl)-5,5-dimethyl-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene, 4-((2,2-dimethoxyethyl)thio)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
| Molecular Formula | C18H21N3O4S |
|---|---|
| Molecular Weight | 375.13 g/mol |
| LogP | 3.3333 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.12527 |
| Heavy Atoms | 26 |
| Complexity | 952.40485 |
Chemical Identifiers
| CAS Number | 896071-96-8 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C4=C(O3)C(=NC=N4)SCC(OC)OC)C |
Product Overview
1-(2,2-Dimethoxy-ethylsulfanyl)-8,8-dimethyl-8,9-dihydro-6H-7,11-dioxa-2,4,10-triaza-benzo[b]fluorene (CAS 896071-96-8), with molecular formula C18H21N3O4S and molecular weight 375.13 g/mol. IUPAC: 15-(2,2-dimethoxyethylsulfanyl)-5,5-dimethyl-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene.
Chemical Property Profile of 1-(2,2-Dimethoxy-ethylsulfanyl)-8,8-dimethyl-8,9-dihydro-6H-7,11-dioxa-2,4,10-triaza-benzo[b]fluorene
Property Insights of 1-(2,2-Dimethoxy-ethylsulfanyl)-8,8-dimethyl-8,9-dihydro-6H-7,11-dioxa-2,4,10-triaza-benzo[b]fluorene
The XLogP value of 3.3333 indicates that 1-(2,2-Dimethoxy-ethylsulfanyl)-8,8-dimethyl-8,9-dihydro-6H-7,11-dioxa-2,4,10-triaza-benzo[b]fluorene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,2-Dimethoxy-ethylsulfanyl)-8,8-dimethyl-8,9-dihydro-6H-7,11-dioxa-2,4,10-triaza-benzo[b]fluorene. Following Lipinski's Rule of Five, 1-(2,2-Dimethoxy-ethylsulfanyl)-8,8-dimethyl-8,9-dihydro-6H-7,11-dioxa-2,4,10-triaza-benzo[b]fluorene has 0 hydrogen bond donor(s) and 8 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-(2,2-Dimethoxy-ethylsulfanyl)-8,8-dimethyl-8,9-dihydro-6H-7,11-dioxa-2,4,10-triaza-benzo[b]fluorene?
The CAS number of 1-(2,2-Dimethoxy-ethylsulfanyl)-8,8-dimethyl-8,9-dihydro-6H-7,11-dioxa-2,4,10-triaza-benzo[b]fluorene is 896071-96-8.
What is the molecular formula of 1-(2,2-Dimethoxy-ethylsulfanyl)-8,8-dimethyl-8,9-dihydro-6H-7,11-dioxa-2,4,10-triaza-benzo[b]fluorene?
The molecular formula of 1-(2,2-Dimethoxy-ethylsulfanyl)-8,8-dimethyl-8,9-dihydro-6H-7,11-dioxa-2,4,10-triaza-benzo[b]fluorene is C18H21N3O4S.
What is the molecular weight of 1-(2,2-Dimethoxy-ethylsulfanyl)-8,8-dimethyl-8,9-dihydro-6H-7,11-dioxa-2,4,10-triaza-benzo[b]fluorene?
The molecular weight of 1-(2,2-Dimethoxy-ethylsulfanyl)-8,8-dimethyl-8,9-dihydro-6H-7,11-dioxa-2,4,10-triaza-benzo[b]fluorene is 375.13 g/mol.
Where can I buy 1-(2,2-Dimethoxy-ethylsulfanyl)-8,8-dimethyl-8,9-dihydro-6H-7,11-dioxa-2,4,10-triaza-benzo[b]fluorene?
You can request a quote for 1-(2,2-Dimethoxy-ethylsulfanyl)-8,8-dimethyl-8,9-dihydro-6H-7,11-dioxa-2,4,10-triaza-benzo[b]fluorene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,2-Dimethoxy-ethylsulfanyl)-8,8-dimethyl-8,9-dihydro-6H-7,11-dioxa-2,4,10-triaza-benzo[b]fluorene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,2-Dimethoxy-ethylsulfanyl)-8,8-dimethyl-8,9-dihydro-6H-7,11-dioxa-2,4,10-triaza-benzo[b]fluorene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.