1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine
TL;DR: 1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine (CAS 84646-78-6) is a chemical compound with molecular formula C20H21NO3 and molecular weight 323.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5,13-trioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-ylmethyl)pyrrolidine
Also Known As: 1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine, 2-(Pyrrolidinomethyl)dibenz(2,3:6,7)-3a,12b-dihydroxepin(4,5-d)-1,3-dioxolane, Pyrrolidine, 1-((3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-, 1-[(3a,12b-Dihydro-2H-dibenzo[b,f][1,3]dioxolo[4,5-d]oxepin-2-yl)methyl]pyrrolidine, RefChem:377895
| Molecular Formula | C20H21NO3 |
|---|---|
| Molecular Weight | 323.15 g/mol |
| LogP | 4.0434 |
| Topological Polar Surface Area | 30.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.15213 |
| Heavy Atoms | 24 |
| Complexity | 687.66876 |
Chemical Identifiers
| CAS Number | 84646-78-6 |
|---|---|
| SMILES | C1CCN(C1)CC2OC3C(O2)C4=CC=CC=C4OC5=CC=CC=C35 |
Product Overview
1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine (CAS 84646-78-6), with molecular formula C20H21NO3 and molecular weight 323.15 g/mol. IUPAC: 1-(3,5,13-trioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7,9,11,14,16-hexaen-4-ylmethyl)pyrrolidine.
Chemical Property Profile of 1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine
Property Insights of 1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine
The XLogP value of 4.0434 indicates that 1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.93 Ų, 1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine has 0 hydrogen bond donor(s) and 4 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 1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine?
The CAS number of 1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine is 84646-78-6.
What is the molecular formula of 1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine?
The molecular formula of 1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine is C20H21NO3.
What is the molecular weight of 1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine?
The molecular weight of 1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine is 323.15 g/mol.
Where can I buy 1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine?
You can request a quote for 1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-((3a,12b-Dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.