![1-Benzyloxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene structure](/static/products/836/836645-44-4.png)
1-Benzyloxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene
TL;DR: 1-Benzyloxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene (CAS 836645-44-4) is a chemical compound with molecular formula C21H19N3O2S and molecular weight 377.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-15-phenylmethoxy-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-Benzyloxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene, 4-(benzyloxy)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 4-(benzyloxy)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C21H19N3O2S |
|---|---|
| Molecular Weight | 377.12 g/mol |
| LogP | 4.6698 |
| Topological Polar Surface Area | 57.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.1198 |
| Heavy Atoms | 27 |
| Complexity | 1138.5522 |
Chemical Identifiers
| CAS Number | 836645-44-4 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C4=C(S3)C(=NC=N4)OCC5=CC=CC=C5)C |
Product Overview
1-Benzyloxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene (CAS 836645-44-4), with molecular formula C21H19N3O2S and molecular weight 377.12 g/mol. IUPAC: 5,5-dimethyl-15-phenylmethoxy-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-Benzyloxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene
Property Insights of 1-Benzyloxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene
The XLogP value of 4.6698 indicates that 1-Benzyloxy-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. With a topological polar surface area (TPSA) of 57.13 Ų, 1-Benzyloxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyloxy-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-Benzyloxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene?
The CAS number of 1-Benzyloxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene is 836645-44-4.
What is the molecular formula of 1-Benzyloxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene?
The molecular formula of 1-Benzyloxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene is C21H19N3O2S.
What is the molecular weight of 1-Benzyloxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene?
The molecular weight of 1-Benzyloxy-8,8-dimethyl-8,9-dihydro-6H-7-oxa-11-thia-2,4,10-triaza-benzo[b]fluorene is 377.12 g/mol.
Where can I buy 1-Benzyloxy-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-Benzyloxy-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-Benzyloxy-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-Benzyloxy-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.