Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene, 2-methoxy-
TL;DR: Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene, 2-methoxy- (CAS 58853-55-7) is a chemical compound with molecular formula C12H12O and molecular weight 172.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxybicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene
Also Known As: 2-methoxy-1,6-methano<10>annulen, 1,5-Methano[10]annulene, 2-methoxy-, 7-methoxybicyclo[4.4.1]undeca-1,3,5,7,9-pentaene, Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene, 2-methoxy-, 10-METHOXYBICYCLO[4.4.1]UNDECA-1,3,5,7,9-PENTAENE
| Molecular Formula | C12H12O |
|---|---|
| Molecular Weight | 172.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.08882 |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 58853-55-7 |
|---|---|
| SMILES | COC1=CC=CC2=CC=CC=C1C2 |
| InChIKey | DDBQPACEJITMHA-UHFFFAOYSA-N |
Product Overview
Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene, 2-methoxy- (CAS 58853-55-7), with molecular formula C12H12O and molecular weight 172.09 g/mol. IUPAC: 2-methoxybicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene.
Chemical Property Profile of Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene, 2-methoxy-
Property Insights of Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene, 2-methoxy-
The XLogP value of 3.2 indicates that Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene, 2-methoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene, 2-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene, 2-methoxy- has 0 hydrogen bond donor(s) and 1 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 Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene, 2-methoxy-?
The CAS number of Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene, 2-methoxy- is 58853-55-7.
What is the molecular formula of Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene, 2-methoxy-?
The molecular formula of Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene, 2-methoxy- is C12H12O.
What is the molecular weight of Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene, 2-methoxy-?
The molecular weight of Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene, 2-methoxy- is 172.09 g/mol.
Where can I buy Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene, 2-methoxy-?
You can request a quote for Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene, 2-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene, 2-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo(4.4.1)undeca-1,3,5,7,9-pentaene, 2-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.