Pyridazino(3,4-b)(1,4)benzoxazepine, 10,11-dihydro-11-furfuryl-2 -(4-methyl-1-piperazinyl)-, dihydrochloride, trihydrate
TL;DR: Pyridazino(3,4-b)(1,4)benzoxazepine, 10,11-dihydro-11-furfuryl-2 -(4-methyl-1-piperazinyl)-, dihydrochloride, trihydrate (CAS 70301-53-0) is a chemical compound with molecular formula C21H25Cl2N5O2 and molecular weight 449.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(furan-2-ylmethyl)-3-(4-methylpiperazin-1-yl)-6H-pyridazino[3,4-b][1,4]benzoxazepine;dihydrochloride
Also Known As: Pyridazino(3,4-b)(1,4)benzoxazepine, 10,11-dihydro-11-furfuryl-2 -(4-methyl-1-piperazinyl)-, dihydrochloride, trihydrate, Pyridazino(3,4-b)(1,4)benzoxazepine, 10,11-dihydro-11-furfuryl-2-(4-methyl-1-piperazinyl)-, dihydrochloride, trihydrate, 5-(furan-2-ylmethyl)-3-(4-methylpiperazin-1-yl)-6H-pyridazino[3,4-b][1,4]benzoxazepine dihydrochloride, 5-[(Furan-2-yl)methyl]-3-(4-methylpiperazin-1-yl)-5,6-dihydropyridazino[3,4-b][1,4]benzoxazepine--hydrogen chloride (1/2), RefChem:376388
| Molecular Formula | C21H25Cl2N5O2 |
|---|---|
| Molecular Weight | 449.14 g/mol |
| LogP | 3.9775 |
| Topological Polar Surface Area | 57.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.13852 |
| Heavy Atoms | 30 |
| Complexity | 961.7904 |
Chemical Identifiers
| CAS Number | 70301-53-0 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NN=C3C(=C2)N(CC4=CC=CC=C4O3)CC5=CC=CO5.Cl.Cl |
Product Overview
Pyridazino(3,4-b)(1,4)benzoxazepine, 10,11-dihydro-11-furfuryl-2 -(4-methyl-1-piperazinyl)-, dihydrochloride, trihydrate (CAS 70301-53-0), with molecular formula C21H25Cl2N5O2 and molecular weight 449.14 g/mol. IUPAC: 5-(furan-2-ylmethyl)-3-(4-methylpiperazin-1-yl)-6H-pyridazino[3,4-b][1,4]benzoxazepine;dihydrochloride.
Chemical Property Profile of Pyridazino(3,4-b)(1,4)benzoxazepine, 10,11-dihydro-11-furfuryl-2 -(4-methyl-1-piperazinyl)-, dihydrochloride, trihydrate
Property Insights of Pyridazino(3,4-b)(1,4)benzoxazepine, 10,11-dihydro-11-furfuryl-2 -(4-methyl-1-piperazinyl)-, dihydrochloride, trihydrate
The XLogP value of 3.9775 indicates that Pyridazino(3,4-b)(1,4)benzoxazepine, 10,11-dihydro-11-furfuryl-2 -(4-methyl-1-piperazinyl)-, dihydrochloride, trihydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.87 Ų, Pyridazino(3,4-b)(1,4)benzoxazepine, 10,11-dihydro-11-furfuryl-2 -(4-methyl-1-piperazinyl)-, dihydrochloride, trihydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridazino(3,4-b)(1,4)benzoxazepine, 10,11-dihydro-11-furfuryl-2 -(4-methyl-1-piperazinyl)-, dihydrochloride, trihydrate has 0 hydrogen bond donor(s) and 7 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 Pyridazino(3,4-b)(1,4)benzoxazepine, 10,11-dihydro-11-furfuryl-2 -(4-methyl-1-piperazinyl)-, dihydrochloride, trihydrate?
The CAS number of Pyridazino(3,4-b)(1,4)benzoxazepine, 10,11-dihydro-11-furfuryl-2 -(4-methyl-1-piperazinyl)-, dihydrochloride, trihydrate is 70301-53-0.
What is the molecular formula of Pyridazino(3,4-b)(1,4)benzoxazepine, 10,11-dihydro-11-furfuryl-2 -(4-methyl-1-piperazinyl)-, dihydrochloride, trihydrate?
The molecular formula of Pyridazino(3,4-b)(1,4)benzoxazepine, 10,11-dihydro-11-furfuryl-2 -(4-methyl-1-piperazinyl)-, dihydrochloride, trihydrate is C21H25Cl2N5O2.
What is the molecular weight of Pyridazino(3,4-b)(1,4)benzoxazepine, 10,11-dihydro-11-furfuryl-2 -(4-methyl-1-piperazinyl)-, dihydrochloride, trihydrate?
The molecular weight of Pyridazino(3,4-b)(1,4)benzoxazepine, 10,11-dihydro-11-furfuryl-2 -(4-methyl-1-piperazinyl)-, dihydrochloride, trihydrate is 449.14 g/mol.
Where can I buy Pyridazino(3,4-b)(1,4)benzoxazepine, 10,11-dihydro-11-furfuryl-2 -(4-methyl-1-piperazinyl)-, dihydrochloride, trihydrate?
You can request a quote for Pyridazino(3,4-b)(1,4)benzoxazepine, 10,11-dihydro-11-furfuryl-2 -(4-methyl-1-piperazinyl)-, dihydrochloride, trihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridazino(3,4-b)(1,4)benzoxazepine, 10,11-dihydro-11-furfuryl-2 -(4-methyl-1-piperazinyl)-, dihydrochloride, trihydrate?
Yes, KEHONG BIO provides custom synthesis services for Pyridazino(3,4-b)(1,4)benzoxazepine, 10,11-dihydro-11-furfuryl-2 -(4-methyl-1-piperazinyl)-, dihydrochloride, trihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.