(-)-1-Acetoxy-6-benzyl-2,12-dimethoxy-7-methyl-5,6,8,9-tetrahydro-7H-dibenz(d,f)azonine
TL;DR: (-)-1-Acetoxy-6-benzyl-2,12-dimethoxy-7-methyl-5,6,8,9-tetrahydro-7H-dibenz(d,f)azonine (CAS 79989-25-6) is a chemical compound with molecular formula C28H31NO4 and molecular weight 445.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9-benzyl-4,16-dimethoxy-10-methyl-10-azatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl) acetate
Also Known As: (-)-1-Acetoxy-6-benzyl-2,12-dimethoxy-7-methyl-5,6,8,9-tetrahydro-7H-dibenz(d,f)azonine, 5H-Dibenz(d,f)azonin-1-ol, 6,7,8,9-tetrahydro-2,12-dimethoxy-7-methyl-6-(phenylmethyl)-, acetate (ester), (-)-, 6-Benzyl-2,12-dimethoxy-7-methyl-6,7,8,9-tetrahydro-5H-dibenzo[d,f]azonin-1-yl acetate, RefChem:305473
| Molecular Formula | C28H31NO4 |
|---|---|
| Molecular Weight | 445.23 g/mol |
| LogP | 4.9378 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.2253 |
| Heavy Atoms | 33 |
| Complexity | 1126.2413 |
Chemical Identifiers
| CAS Number | 79989-25-6 |
|---|---|
| SMILES | CC(=O)OC1=C(C=CC2=C1C3=C(CCN(C(C2)CC4=CC=CC=C4)C)C=CC(=C3)OC)OC |
Product Overview
(-)-1-Acetoxy-6-benzyl-2,12-dimethoxy-7-methyl-5,6,8,9-tetrahydro-7H-dibenz(d,f)azonine (CAS 79989-25-6), with molecular formula C28H31NO4 and molecular weight 445.23 g/mol. IUPAC: (9-benzyl-4,16-dimethoxy-10-methyl-10-azatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl) acetate.
Chemical Property Profile of (-)-1-Acetoxy-6-benzyl-2,12-dimethoxy-7-methyl-5,6,8,9-tetrahydro-7H-dibenz(d,f)azonine
Property Insights of (-)-1-Acetoxy-6-benzyl-2,12-dimethoxy-7-methyl-5,6,8,9-tetrahydro-7H-dibenz(d,f)azonine
The XLogP value of 4.9378 indicates that (-)-1-Acetoxy-6-benzyl-2,12-dimethoxy-7-methyl-5,6,8,9-tetrahydro-7H-dibenz(d,f)azonine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, (-)-1-Acetoxy-6-benzyl-2,12-dimethoxy-7-methyl-5,6,8,9-tetrahydro-7H-dibenz(d,f)azonine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (-)-1-Acetoxy-6-benzyl-2,12-dimethoxy-7-methyl-5,6,8,9-tetrahydro-7H-dibenz(d,f)azonine 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 (-)-1-Acetoxy-6-benzyl-2,12-dimethoxy-7-methyl-5,6,8,9-tetrahydro-7H-dibenz(d,f)azonine?
The CAS number of (-)-1-Acetoxy-6-benzyl-2,12-dimethoxy-7-methyl-5,6,8,9-tetrahydro-7H-dibenz(d,f)azonine is 79989-25-6.
What is the molecular formula of (-)-1-Acetoxy-6-benzyl-2,12-dimethoxy-7-methyl-5,6,8,9-tetrahydro-7H-dibenz(d,f)azonine?
The molecular formula of (-)-1-Acetoxy-6-benzyl-2,12-dimethoxy-7-methyl-5,6,8,9-tetrahydro-7H-dibenz(d,f)azonine is C28H31NO4.
What is the molecular weight of (-)-1-Acetoxy-6-benzyl-2,12-dimethoxy-7-methyl-5,6,8,9-tetrahydro-7H-dibenz(d,f)azonine?
The molecular weight of (-)-1-Acetoxy-6-benzyl-2,12-dimethoxy-7-methyl-5,6,8,9-tetrahydro-7H-dibenz(d,f)azonine is 445.23 g/mol.
Where can I buy (-)-1-Acetoxy-6-benzyl-2,12-dimethoxy-7-methyl-5,6,8,9-tetrahydro-7H-dibenz(d,f)azonine?
You can request a quote for (-)-1-Acetoxy-6-benzyl-2,12-dimethoxy-7-methyl-5,6,8,9-tetrahydro-7H-dibenz(d,f)azonine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-1-Acetoxy-6-benzyl-2,12-dimethoxy-7-methyl-5,6,8,9-tetrahydro-7H-dibenz(d,f)azonine?
Yes, KEHONG BIO provides custom synthesis services for (-)-1-Acetoxy-6-benzyl-2,12-dimethoxy-7-methyl-5,6,8,9-tetrahydro-7H-dibenz(d,f)azonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.