(l)-Neorautenane
TL;DR: (l)-Neorautenane (CAS 65418-33-9) is a chemical compound with molecular formula C21H18O5 and molecular weight 350.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,14R)-7,7-dimethyl-8,12,18,20,24-pentaoxahexacyclo[12.10.0.02,11.04,9.015,23.017,21]tetracosa-2(11),3,5,9,15,17(21),22-heptaene
Also Known As: (l)-Neorautenane, (1R,14R)-7,7-dimethyl-8,12,18,20,24-pentaoxahexacyclo[12.10.0.02,11.04,9.015,23.017,21]tetracosa-2(11),3,5,9,15,17(21),22-heptaene, (7aR,13aR)-3,3-Dimethyl-7a,13a-dihydro-3H,7H,10H-[1,3]dioxolo[4',5']benzo[1',2':4,5]furo[2,3-d]benzo[1,2-b:5,4-b']dipyran, 7aalpha,13aalpha-Dihydro-3,3-dimethyl-3H,7H-[1,3]dioxolo[5,6]benzofuro[3,2-c]pyrano[3,2-g][1]benzopyran, RefChem:210569
| Molecular Formula | C21H18O5 |
|---|---|
| Molecular Weight | 350.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 350.11542 |
| Heavy Atoms | 26 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 65418-33-9 |
|---|---|
| SMILES | CC1(C=CC2=CC3=C(C=C2O1)OC[C@@H]4[C@H]3OC5=CC6=C(C=C45)OCO6)C |
| InChIKey | OYJSNPOSPVUTQQ-XOBRGWDASA-N |
Product Overview
(l)-Neorautenane (CAS 65418-33-9), with molecular formula C21H18O5 and molecular weight 350.12 g/mol. IUPAC: (1R,14R)-7,7-dimethyl-8,12,18,20,24-pentaoxahexacyclo[12.10.0.02,11.04,9.015,23.017,21]tetracosa-2(11),3,5,9,15,17(21),22-heptaene.
Chemical Property Profile of (l)-Neorautenane
Property Insights of (l)-Neorautenane
The XLogP value of 3.7 indicates that (l)-Neorautenane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.2 Ų, (l)-Neorautenane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (l)-Neorautenane 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 (l)-Neorautenane?
The CAS number of (l)-Neorautenane is 65418-33-9.
What is the molecular formula of (l)-Neorautenane?
The molecular formula of (l)-Neorautenane is C21H18O5.
What is the molecular weight of (l)-Neorautenane?
The molecular weight of (l)-Neorautenane is 350.12 g/mol.
Where can I buy (l)-Neorautenane?
You can request a quote for (l)-Neorautenane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (l)-Neorautenane?
Yes, KEHONG BIO provides custom synthesis services for (l)-Neorautenane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.