13-(3,4,5-trimethoxy-phenyl)-6,11-dihydro-5,12-methano-diben
TL;DR: 13-(3,4,5-trimethoxy-phenyl)-6,11-dihydro-5,12-methano-diben (CAS 60579-44-4) is a chemical compound with molecular formula C24H24N2O3 and molecular weight 388.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(3,4,5-trimethoxyphenyl)-1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene
Also Known As: 13-(3,4,5-trimethoxy-phenyl)-6,11-dihydro-5,12-methano-diben, 13-(3,4,5-Trimethoxyphenyl)-6,11-dihydro-5,12-methanodibenzo[b,f][1,4]diazocine, 17-(3,4,5-Trimethoxyphenyl)-1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene
| Molecular Formula | C24H24N2O3 |
|---|---|
| Molecular Weight | 388.18 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 34.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.17868 |
| Heavy Atoms | 29 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 60579-44-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2N3CC4=CC=CC=C4CN2C5=CC=CC=C53 |
| InChIKey | NIGDVNKFFPFDTH-UHFFFAOYSA-N |
Product Overview
13-(3,4,5-trimethoxy-phenyl)-6,11-dihydro-5,12-methano-diben (CAS 60579-44-4), with molecular formula C24H24N2O3 and molecular weight 388.18 g/mol. IUPAC: 17-(3,4,5-trimethoxyphenyl)-1,10-diazatetracyclo[8.6.1.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene.
Chemical Property Profile of 13-(3,4,5-trimethoxy-phenyl)-6,11-dihydro-5,12-methano-diben
Property Insights of 13-(3,4,5-trimethoxy-phenyl)-6,11-dihydro-5,12-methano-diben
The XLogP value of 4.5 indicates that 13-(3,4,5-trimethoxy-phenyl)-6,11-dihydro-5,12-methano-diben is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.2 Ų, 13-(3,4,5-trimethoxy-phenyl)-6,11-dihydro-5,12-methano-diben exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 13-(3,4,5-trimethoxy-phenyl)-6,11-dihydro-5,12-methano-diben 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 13-(3,4,5-trimethoxy-phenyl)-6,11-dihydro-5,12-methano-diben?
The CAS number of 13-(3,4,5-trimethoxy-phenyl)-6,11-dihydro-5,12-methano-diben is 60579-44-4.
What is the molecular formula of 13-(3,4,5-trimethoxy-phenyl)-6,11-dihydro-5,12-methano-diben?
The molecular formula of 13-(3,4,5-trimethoxy-phenyl)-6,11-dihydro-5,12-methano-diben is C24H24N2O3.
What is the molecular weight of 13-(3,4,5-trimethoxy-phenyl)-6,11-dihydro-5,12-methano-diben?
The molecular weight of 13-(3,4,5-trimethoxy-phenyl)-6,11-dihydro-5,12-methano-diben is 388.18 g/mol.
Where can I buy 13-(3,4,5-trimethoxy-phenyl)-6,11-dihydro-5,12-methano-diben?
You can request a quote for 13-(3,4,5-trimethoxy-phenyl)-6,11-dihydro-5,12-methano-diben directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-(3,4,5-trimethoxy-phenyl)-6,11-dihydro-5,12-methano-diben?
Yes, KEHONG BIO provides custom synthesis services for 13-(3,4,5-trimethoxy-phenyl)-6,11-dihydro-5,12-methano-diben and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.