![1-Isobutoxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene structure](/static/products/3847/384794-44-9.webp)
1-Isobutoxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene
TL;DR: 1-Isobutoxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene (CAS 384794-44-9) is a chemical compound with molecular formula C18H21N3O2S and molecular weight 343.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-15-(2-methylpropoxy)-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaene
Also Known As: 1-Isobutoxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene, 8,8-dimethyl-4-(2-methylpropoxy)-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 4-isobutoxy-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 4-isobutoxy-8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 5,5-dimethyl-15-(2-methylpropoxy)-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaene
| Molecular Formula | C18H21N3O2S |
|---|---|
| Molecular Weight | 343.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 85.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.13544 |
| Heavy Atoms | 24 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 384794-44-9 |
|---|---|
| SMILES | CC(C)COC1=NC=NC2=C1SC3=C2C=C4COC(CC4=N3)(C)C |
| InChIKey | RHVCTAICMDAACR-UHFFFAOYSA-N |
Product Overview
1-Isobutoxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene (CAS 384794-44-9), with molecular formula C18H21N3O2S and molecular weight 343.14 g/mol. IUPAC: 5,5-dimethyl-15-(2-methylpropoxy)-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaene.
Chemical Property Profile of 1-Isobutoxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene
Property Insights of 1-Isobutoxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene
The XLogP value of 3.9 indicates that 1-Isobutoxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Isobutoxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene. Following Lipinski's Rule of Five, 1-Isobutoxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene 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 1-Isobutoxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene?
The CAS number of 1-Isobutoxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene is 384794-44-9.
What is the molecular formula of 1-Isobutoxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene?
The molecular formula of 1-Isobutoxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene is C18H21N3O2S.
What is the molecular weight of 1-Isobutoxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene?
The molecular weight of 1-Isobutoxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene is 343.14 g/mol.
Where can I buy 1-Isobutoxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene?
You can request a quote for 1-Isobutoxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-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-Isobutoxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene?
Yes, KEHONG BIO provides custom synthesis services for 1-Isobutoxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.