4,4a,5,9b-四氢茚并(1,2-d)-1,3-二噁英
TL;DR: 4,4a,5,9b-四氢茚并(1,2-d)-1,3-二噁英 (CAS 18096-62-3) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4a,5,9b-四氢茚并(1,2-d)-1,3-二噁英
4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine
Also Known As: 4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine, Dihydroindenyl-2,4-dioxane, 4,5-Indeno-1,3-dioxan, tetrahydro indeno-m-dioxin, Indeno-m-dioxin tetrahydro
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 18096-62-3 |
|---|---|
| SMILES | C1C2COCOC2C3=CC=CC=C31 |
| InChIKey | CZSXBBWOROMVEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4a,5,9b-四氢茚并(1,2-d)-1,3-二噁英 (CAS 18096-62-3), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: 4,4a,5,9b-tetrahydroindeno[1,2-d][1,3]dioxine.
Chemical Property Profile of 4,4a,5,9b-四氢茚并(1,2-d)-1,3-二噁英
Property Insights of 4,4a,5,9b-四氢茚并(1,2-d)-1,3-二噁英
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4a,5,9b-四氢茚并(1,2-d)-1,3-二噁英. With a topological polar surface area (TPSA) of 18.5 Ų, 4,4a,5,9b-四氢茚并(1,2-d)-1,3-二噁英 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4a,5,9b-四氢茚并(1,2-d)-1,3-二噁英 has 0 hydrogen bond donor(s) and 2 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 4,4a,5,9b-四氢茚并(1,2-d)-1,3-二噁英?
The CAS number of 4,4a,5,9b-四氢茚并(1,2-d)-1,3-二噁英 is 18096-62-3.
What is the molecular formula of 4,4a,5,9b-四氢茚并(1,2-d)-1,3-二噁英?
The molecular formula of 4,4a,5,9b-四氢茚并(1,2-d)-1,3-二噁英 is C11H12O2.
What is the molecular weight of 4,4a,5,9b-四氢茚并(1,2-d)-1,3-二噁英?
The molecular weight of 4,4a,5,9b-四氢茚并(1,2-d)-1,3-二噁英 is 176.08 g/mol.
Where can I buy 4,4a,5,9b-四氢茚并(1,2-d)-1,3-二噁英?
You can request a quote for 4,4a,5,9b-四氢茚并(1,2-d)-1,3-二噁英 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4a,5,9b-四氢茚并(1,2-d)-1,3-二噁英?
Yes, KEHONG BIO provides custom synthesis services for 4,4a,5,9b-四氢茚并(1,2-d)-1,3-二噁英 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.