RefChem:305478
TL;DR: RefChem:305478 (CAS 79989-22-3) is a chemical compound with molecular formula C27H31NO3 and molecular weight 417.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-benzyl-3,4,16-trimethoxy-10-methyl-10-azatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaene
Also Known As: (+-)-6-Benzyl-7-methyl-5,6,8,9-tetrahydro-1,2,12-trimethoxy-7H-dibenz(d,f)azonine, (+-)-6,7,8,9-Tetrahydro-7-methyl-6-(phenylmethyl)-1,2,12-trimethoxy-5H-dibenz(d,f)azonine, 5H-Dibenz(d,f)azonine, 6,7,8,9-tetrahydro-7-methyl-6-(phenylmethyl)-1,2,12-trimethoxy-, (+-)-, -6-Benzyl-7-methyl-5,6,8,9-tetrahydro-1,2,12-trimethoxy-7H-dibenz azonine, 5H-Dibenz[d,f]azonine,6,7,8,9-tetrahydro-1,2,12-trimethoxy-7-methyl-6-(phenylmethyl)-
| Molecular Formula | C27H31NO3 |
|---|---|
| Molecular Weight | 417.23 g/mol |
| LogP | 5.0211 |
| Topological Polar Surface Area | 30.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.2304 |
| Heavy Atoms | 31 |
| Complexity | 1032.1516 |
Chemical Identifiers
| CAS Number | 79989-22-3 |
|---|---|
| SMILES | CN1CCC2=C(C=C(C=C2)OC)C3=C(CC1CC4=CC=CC=C4)C=CC(=C3OC)OC |
Product Overview
RefChem:305478 (CAS 79989-22-3), with molecular formula C27H31NO3 and molecular weight 417.23 g/mol. IUPAC: 9-benzyl-3,4,16-trimethoxy-10-methyl-10-azatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaene.
Chemical Property Profile of RefChem:305478
Property Insights of RefChem:305478
The XLogP value of 5.0211 indicates that RefChem:305478 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.93 Ų, RefChem:305478 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:305478 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:305478?
The CAS number of RefChem:305478 is 79989-22-3.
What is the molecular formula of RefChem:305478?
The molecular formula of RefChem:305478 is C27H31NO3.
What is the molecular weight of RefChem:305478?
The molecular weight of RefChem:305478 is 417.23 g/mol.
Where can I buy RefChem:305478?
You can request a quote for RefChem:305478 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:305478?
Yes, KEHONG BIO provides custom synthesis services for RefChem:305478 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.