2-(Pyrrolidinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane HCl
TL;DR: 2-(Pyrrolidinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane HCl (CAS 84646-84-4) is a chemical compound with molecular formula C20H21Cl2NO3 and molecular weight 393.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(9-chloro-3,5,13-trioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)methyl]pyrrolidine;hydrochloride
Also Known As: 2-(Pyrrolidinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane HCl, Pyrrolidine, 1-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-, hydrochloride, Pyrrolidine,1-((5-chloro-3a,12b-dihydrodibenzo -1,3-dioxolo -,hydrochloride, 1-[(5-Chloro-3a,12b-dihydro-2H-dibenzo[b,f][1,3]dioxolo[4,5-d]oxepin-2-yl)methyl]pyrrolidine--hydrogen chloride (1/1), Pyrrolidine,1-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-,hydrochloride
| Molecular Formula | C20H21Cl2NO3 |
|---|---|
| Molecular Weight | 393.09 g/mol |
| LogP | 5.1186 |
| Topological Polar Surface Area | 30.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.08984 |
| Heavy Atoms | 26 |
| Complexity | 794.3758 |
Chemical Identifiers
| CAS Number | 84646-84-4 |
|---|---|
| SMILES | C1CCN(C1)CC2OC3C(O2)C4=C(C=CC(=C4)Cl)OC5=CC=CC=C35.Cl |
Product Overview
2-(Pyrrolidinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane HCl (CAS 84646-84-4), with molecular formula C20H21Cl2NO3 and molecular weight 393.09 g/mol. IUPAC: 1-[(9-chloro-3,5,13-trioxatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-yl)methyl]pyrrolidine;hydrochloride.
Chemical Property Profile of 2-(Pyrrolidinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane HCl
Property Insights of 2-(Pyrrolidinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane HCl
The XLogP value of 5.1186 indicates that 2-(Pyrrolidinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.93 Ų, 2-(Pyrrolidinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Pyrrolidinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane HCl 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 2-(Pyrrolidinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane HCl?
The CAS number of 2-(Pyrrolidinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane HCl is 84646-84-4.
What is the molecular formula of 2-(Pyrrolidinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane HCl?
The molecular formula of 2-(Pyrrolidinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane HCl is C20H21Cl2NO3.
What is the molecular weight of 2-(Pyrrolidinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane HCl?
The molecular weight of 2-(Pyrrolidinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane HCl is 393.09 g/mol.
Where can I buy 2-(Pyrrolidinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane HCl?
You can request a quote for 2-(Pyrrolidinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Pyrrolidinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane HCl?
Yes, KEHONG BIO provides custom synthesis services for 2-(Pyrrolidinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.