Dibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-methanamine, 3a,12b-dihydro-5-chloro-N,N-diethyl-, hydrochloride
TL;DR: Dibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-methanamine, 3a,12b-dihydro-5-chloro-N,N-diethyl-, hydrochloride (CAS 84646-83-3) is a chemical compound with molecular formula C20H23Cl2NO3 and molecular weight 395.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(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]-N-ethylethanamine;hydrochloride
Also Known As: Dibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-methanamine, 3a,12b-dihydro-5-chloro-N,N-diethyl-, hydrochloride, N-[(5-Chloro-3a,12b-dihydro-2H-dibenzo[b,f][1,3]dioxolo[4,5-d]oxepin-2-yl)methyl]-N-ethylethanamine--hydrogen chloride (1/1), RefChem:337137
| Molecular Formula | C20H23Cl2NO3 |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | 5.3646 |
| Topological Polar Surface Area | 30.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.1055 |
| Heavy Atoms | 26 |
| Complexity | 766.47156 |
Chemical Identifiers
| CAS Number | 84646-83-3 |
|---|---|
| SMILES | CCN(CC)CC1OC2C(O1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24.Cl |
Product Overview
Dibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-methanamine, 3a,12b-dihydro-5-chloro-N,N-diethyl-, hydrochloride (CAS 84646-83-3), with molecular formula C20H23Cl2NO3 and molecular weight 395.11 g/mol. IUPAC: N-[(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]-N-ethylethanamine;hydrochloride.
Chemical Property Profile of Dibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-methanamine, 3a,12b-dihydro-5-chloro-N,N-diethyl-, hydrochloride
Property Insights of Dibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-methanamine, 3a,12b-dihydro-5-chloro-N,N-diethyl-, hydrochloride
The XLogP value of 5.3646 indicates that Dibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-methanamine, 3a,12b-dihydro-5-chloro-N,N-diethyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.93 Ų, Dibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-methanamine, 3a,12b-dihydro-5-chloro-N,N-diethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-methanamine, 3a,12b-dihydro-5-chloro-N,N-diethyl-, hydrochloride 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 Dibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-methanamine, 3a,12b-dihydro-5-chloro-N,N-diethyl-, hydrochloride?
The CAS number of Dibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-methanamine, 3a,12b-dihydro-5-chloro-N,N-diethyl-, hydrochloride is 84646-83-3.
What is the molecular formula of Dibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-methanamine, 3a,12b-dihydro-5-chloro-N,N-diethyl-, hydrochloride?
The molecular formula of Dibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-methanamine, 3a,12b-dihydro-5-chloro-N,N-diethyl-, hydrochloride is C20H23Cl2NO3.
What is the molecular weight of Dibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-methanamine, 3a,12b-dihydro-5-chloro-N,N-diethyl-, hydrochloride?
The molecular weight of Dibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-methanamine, 3a,12b-dihydro-5-chloro-N,N-diethyl-, hydrochloride is 395.11 g/mol.
Where can I buy Dibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-methanamine, 3a,12b-dihydro-5-chloro-N,N-diethyl-, hydrochloride?
You can request a quote for Dibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-methanamine, 3a,12b-dihydro-5-chloro-N,N-diethyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-methanamine, 3a,12b-dihydro-5-chloro-N,N-diethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-methanamine, 3a,12b-dihydro-5-chloro-N,N-diethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.