2-(Morpholinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane
TL;DR: 2-(Morpholinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane (CAS 84646-85-5) is a chemical compound with molecular formula C20H20ClNO4 and molecular weight 373.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(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]morpholine
Also Known As: 2-(Morpholinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane, 4-((5-Chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)morpholine, Morpholine, 4-((5-chloro-3a,12b-dihydrodibenzo(b,f)-1,3-dioxolo(4,5-d)oxepin-2-yl)methyl)-, 4-[(5-Chloro-3a,12b-dihydro-2H-dibenzo[b,f][1,3]dioxolo[4,5-d]oxepin-2-yl)methyl]morpholine, RefChem:357589
| Molecular Formula | C20H20ClNO4 |
|---|---|
| Molecular Weight | 373.11 g/mol |
| LogP | 3.9332 |
| Topological Polar Surface Area | 40.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.1081 |
| Heavy Atoms | 26 |
| Complexity | 808.14825 |
Chemical Identifiers
| CAS Number | 84646-85-5 |
|---|---|
| SMILES | C1COCCN1CC2OC3C(O2)C4=C(C=CC(=C4)Cl)OC5=CC=CC=C35 |
Product Overview
2-(Morpholinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane (CAS 84646-85-5), with molecular formula C20H20ClNO4 and molecular weight 373.11 g/mol. IUPAC: 4-[(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]morpholine.
Chemical Property Profile of 2-(Morpholinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane
Property Insights of 2-(Morpholinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane
The XLogP value of 3.9332 indicates that 2-(Morpholinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.16 Ų, 2-(Morpholinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Morpholinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane has 0 hydrogen bond donor(s) and 5 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 2-(Morpholinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane?
The CAS number of 2-(Morpholinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane is 84646-85-5.
What is the molecular formula of 2-(Morpholinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane?
The molecular formula of 2-(Morpholinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane is C20H20ClNO4.
What is the molecular weight of 2-(Morpholinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane?
The molecular weight of 2-(Morpholinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane is 373.11 g/mol.
Where can I buy 2-(Morpholinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane?
You can request a quote for 2-(Morpholinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Morpholinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane?
Yes, KEHONG BIO provides custom synthesis services for 2-(Morpholinomethyl)-5-chlorodibenz(2,3:6,7)-3a,12b-dihydrooxepin(4,5-d)-1,3-dioxolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.