Dibenzo(a,e)cycloheptatrien-5-one, 1-(diethylamino)methyl-2-methoxy-
TL;DR: Dibenzo(a,e)cycloheptatrien-5-one, 1-(diethylamino)methyl-2-methoxy- (CAS 42981-83-9) is a chemical compound with molecular formula C21H23NO2 and molecular weight 321.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(diethylaminomethyl)-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
Also Known As: Dibenzo(a,e)cycloheptatrien-5-one, 1-(diethylamino)methyl-2-methoxy-, 1-(Diethylamino)methyl-2-methoxydibenzo(a,e)cycloheptatrien-5-one, 2,6-Di-tert-butyl-1,2,3,4-tetrahydro-naphthalene, 1- methyl-2-methoxy-5H-dibenzo[a,d]cyclohepten-5-one, 1-(Diethylamino)methyl-2-methoxy-5H-dibenzo[a,d]cyclohepten-5-one
| Molecular Formula | C21H23NO2 |
|---|---|
| Molecular Weight | 321.17 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.17288 |
| Heavy Atoms | 24 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 42981-83-9 |
|---|---|
| SMILES | CCN(CC)CC1=C(C=CC2=C1C=CC3=CC=CC=C3C2=O)OC |
| InChIKey | RRYJDXPRLSPZKM-UHFFFAOYSA-N |
Product Overview
Dibenzo(a,e)cycloheptatrien-5-one, 1-(diethylamino)methyl-2-methoxy- (CAS 42981-83-9), with molecular formula C21H23NO2 and molecular weight 321.17 g/mol. IUPAC: 7-(diethylaminomethyl)-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one.
Chemical Property Profile of Dibenzo(a,e)cycloheptatrien-5-one, 1-(diethylamino)methyl-2-methoxy-
Property Insights of Dibenzo(a,e)cycloheptatrien-5-one, 1-(diethylamino)methyl-2-methoxy-
The XLogP value of 4.4 indicates that Dibenzo(a,e)cycloheptatrien-5-one, 1-(diethylamino)methyl-2-methoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Dibenzo(a,e)cycloheptatrien-5-one, 1-(diethylamino)methyl-2-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(a,e)cycloheptatrien-5-one, 1-(diethylamino)methyl-2-methoxy- has 0 hydrogen bond donor(s) and 3 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 Dibenzo(a,e)cycloheptatrien-5-one, 1-(diethylamino)methyl-2-methoxy-?
The CAS number of Dibenzo(a,e)cycloheptatrien-5-one, 1-(diethylamino)methyl-2-methoxy- is 42981-83-9.
What is the molecular formula of Dibenzo(a,e)cycloheptatrien-5-one, 1-(diethylamino)methyl-2-methoxy-?
The molecular formula of Dibenzo(a,e)cycloheptatrien-5-one, 1-(diethylamino)methyl-2-methoxy- is C21H23NO2.
What is the molecular weight of Dibenzo(a,e)cycloheptatrien-5-one, 1-(diethylamino)methyl-2-methoxy-?
The molecular weight of Dibenzo(a,e)cycloheptatrien-5-one, 1-(diethylamino)methyl-2-methoxy- is 321.17 g/mol.
Where can I buy Dibenzo(a,e)cycloheptatrien-5-one, 1-(diethylamino)methyl-2-methoxy-?
You can request a quote for Dibenzo(a,e)cycloheptatrien-5-one, 1-(diethylamino)methyl-2-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo(a,e)cycloheptatrien-5-one, 1-(diethylamino)methyl-2-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(a,e)cycloheptatrien-5-one, 1-(diethylamino)methyl-2-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.