Dibenzo(a,e)cycloheptatrien-5-one, 2-methoxy-1-pyrrolidinomethyl-
TL;DR: Dibenzo(a,e)cycloheptatrien-5-one, 2-methoxy-1-pyrrolidinomethyl- (CAS 42981-86-2) is a chemical compound with molecular formula C21H21NO2 and molecular weight 319.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-7-(pyrrolidin-1-ylmethyl)tricyclo[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, 2-methoxy-1-pyrrolidinomethyl-, 2-Methoxy-1-pyrrolidinylmethyldibenzo(a,e)cycloheptatrien-5-one, 2,6-Di-tert-butyl-1,2,3,4-tetrahydro-naphthalene, 2-Methoxy-1-pyrrolizinomethyl-5H-dibenzo[a,d]cyclohepten-5-one, 2-Methoxy-1-[(pyrrolidin-1-yl)methyl]-5H-dibenzo[a,d][7]annulen-5-one
| Molecular Formula | C21H21NO2 |
|---|---|
| Molecular Weight | 319.16 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.15723 |
| Heavy Atoms | 24 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 42981-86-2 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C=C2)CN4CCCC4 |
| InChIKey | MHDVOJXHCHDAPC-UHFFFAOYSA-N |
Product Overview
Dibenzo(a,e)cycloheptatrien-5-one, 2-methoxy-1-pyrrolidinomethyl- (CAS 42981-86-2), with molecular formula C21H21NO2 and molecular weight 319.16 g/mol. IUPAC: 6-methoxy-7-(pyrrolidin-1-ylmethyl)tricyclo[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, 2-methoxy-1-pyrrolidinomethyl-
Property Insights of Dibenzo(a,e)cycloheptatrien-5-one, 2-methoxy-1-pyrrolidinomethyl-
The XLogP value of 4.1 indicates that Dibenzo(a,e)cycloheptatrien-5-one, 2-methoxy-1-pyrrolidinomethyl- 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, 2-methoxy-1-pyrrolidinomethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(a,e)cycloheptatrien-5-one, 2-methoxy-1-pyrrolidinomethyl- 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, 2-methoxy-1-pyrrolidinomethyl-?
The CAS number of Dibenzo(a,e)cycloheptatrien-5-one, 2-methoxy-1-pyrrolidinomethyl- is 42981-86-2.
What is the molecular formula of Dibenzo(a,e)cycloheptatrien-5-one, 2-methoxy-1-pyrrolidinomethyl-?
The molecular formula of Dibenzo(a,e)cycloheptatrien-5-one, 2-methoxy-1-pyrrolidinomethyl- is C21H21NO2.
What is the molecular weight of Dibenzo(a,e)cycloheptatrien-5-one, 2-methoxy-1-pyrrolidinomethyl-?
The molecular weight of Dibenzo(a,e)cycloheptatrien-5-one, 2-methoxy-1-pyrrolidinomethyl- is 319.16 g/mol.
Where can I buy Dibenzo(a,e)cycloheptatrien-5-one, 2-methoxy-1-pyrrolidinomethyl-?
You can request a quote for Dibenzo(a,e)cycloheptatrien-5-one, 2-methoxy-1-pyrrolidinomethyl- 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, 2-methoxy-1-pyrrolidinomethyl-?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(a,e)cycloheptatrien-5-one, 2-methoxy-1-pyrrolidinomethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.