Dibenzo(a,e)cycloheptatrien-5-ol, 2-methoxy-1-pyrrolidinylmethyl-
TL;DR: Dibenzo(a,e)cycloheptatrien-5-ol, 2-methoxy-1-pyrrolidinylmethyl- (CAS 42981-91-9) 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.
6-methoxy-7-(pyrrolidin-1-ylmethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol
Also Known As: 2-Methoxy-1-pyrrolidinylmethyldibenzo(a,e)cycloheptatrien-5-ol, Dibenzo(a,e)cycloheptatrien-5-ol, 2-methoxy-1-pyrrolidinylmethyl-, 2,6-Di-tert-butyl-1,2,3,4-tetrahydro-naphthalene, 2-Methoxy-1-pyrrolizinomethyl-5H-dibenzo[a,d]cyclohepten-5-ol, 2-Methoxy-1-[(pyrrolidin-1-yl)methyl]-5H-dibenzo[a,d][7]annulen-5-ol
| Molecular Formula | C21H23NO2 |
|---|---|
| Molecular Weight | 321.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.17288 |
| Heavy Atoms | 24 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 42981-91-9 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(C3=CC=CC=C3C=C2)O)CN4CCCC4 |
| InChIKey | IRUJZLPOZJUYPK-UHFFFAOYSA-N |
Product Overview
Dibenzo(a,e)cycloheptatrien-5-ol, 2-methoxy-1-pyrrolidinylmethyl- (CAS 42981-91-9), with molecular formula C21H23NO2 and molecular weight 321.17 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-ol.
Chemical Property Profile of Dibenzo(a,e)cycloheptatrien-5-ol, 2-methoxy-1-pyrrolidinylmethyl-
Property Insights of Dibenzo(a,e)cycloheptatrien-5-ol, 2-methoxy-1-pyrrolidinylmethyl-
The XLogP value of 3.5 indicates that Dibenzo(a,e)cycloheptatrien-5-ol, 2-methoxy-1-pyrrolidinylmethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, Dibenzo(a,e)cycloheptatrien-5-ol, 2-methoxy-1-pyrrolidinylmethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(a,e)cycloheptatrien-5-ol, 2-methoxy-1-pyrrolidinylmethyl- has 1 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-ol, 2-methoxy-1-pyrrolidinylmethyl-?
The CAS number of Dibenzo(a,e)cycloheptatrien-5-ol, 2-methoxy-1-pyrrolidinylmethyl- is 42981-91-9.
What is the molecular formula of Dibenzo(a,e)cycloheptatrien-5-ol, 2-methoxy-1-pyrrolidinylmethyl-?
The molecular formula of Dibenzo(a,e)cycloheptatrien-5-ol, 2-methoxy-1-pyrrolidinylmethyl- is C21H23NO2.
What is the molecular weight of Dibenzo(a,e)cycloheptatrien-5-ol, 2-methoxy-1-pyrrolidinylmethyl-?
The molecular weight of Dibenzo(a,e)cycloheptatrien-5-ol, 2-methoxy-1-pyrrolidinylmethyl- is 321.17 g/mol.
Where can I buy Dibenzo(a,e)cycloheptatrien-5-ol, 2-methoxy-1-pyrrolidinylmethyl-?
You can request a quote for Dibenzo(a,e)cycloheptatrien-5-ol, 2-methoxy-1-pyrrolidinylmethyl- 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-ol, 2-methoxy-1-pyrrolidinylmethyl-?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(a,e)cycloheptatrien-5-ol, 2-methoxy-1-pyrrolidinylmethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.