Neorautane
TL;DR: Neorautane (CAS 36284-97-6) is a chemical compound with molecular formula C21H20O5 and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethyl-8,12,18,20,24-pentaoxahexacyclo[12.10.0.02,11.04,9.015,23.017,21]tetracosa-2(11),3,9,15,17(21),22-hexaene
Also Known As: Neorautane, dimethyl[?], NCI60_007926, 3,3-Dimethyl-2,3,7a,13a-tetrahydro-1H,7H-[1,3]dioxolo[4',5':5,6][1]benzofuro[3,2-c]pyrano[3,2-g]chromene, 1H,7H-[1,3]Dioxolo[5,6]benzofuro[3,2-c]pyrano[3,2-g][1]benzopyran, 2,3,7a,13a-tetrahydro-3,3-dimethyl-, (7aR,13aR)-
| Molecular Formula | C21H20O5 |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 352.13107 |
| Heavy Atoms | 26 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 36284-97-6 |
|---|---|
| SMILES | CC1(CCC2=CC3=C(C=C2O1)OCC4C3OC5=CC6=C(C=C45)OCO6)C |
| InChIKey | BGWFJLDAZBGWOL-UHFFFAOYSA-N |
Product Overview
Neorautane (CAS 36284-97-6), with molecular formula C21H20O5 and molecular weight 352.13 g/mol. IUPAC: 7,7-dimethyl-8,12,18,20,24-pentaoxahexacyclo[12.10.0.02,11.04,9.015,23.017,21]tetracosa-2(11),3,9,15,17(21),22-hexaene.
Chemical Property Profile of Neorautane
Property Insights of Neorautane
The XLogP value of 3.8 indicates that Neorautane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.2 Ų, Neorautane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neorautane has 0 hydrogen bond donor(s) and 5 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 Neorautane?
The CAS number of Neorautane is 36284-97-6.
What is the molecular formula of Neorautane?
The molecular formula of Neorautane is C21H20O5.
What is the molecular weight of Neorautane?
The molecular weight of Neorautane is 352.13 g/mol.
Where can I buy Neorautane?
You can request a quote for Neorautane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neorautane?
Yes, KEHONG BIO provides custom synthesis services for Neorautane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.