Dibenzo(b,f)pyrazolo(3,4-d)azepine-8(1H)-propanamine, 3a,12b-dihydro-3-(4-chlorophenyl)-N,N-dimethyl-1-phenyl-, monohydrochloride
TL;DR: Dibenzo(b,f)pyrazolo(3,4-d)azepine-8(1H)-propanamine, 3a,12b-dihydro-3-(4-chlorophenyl)-N,N-dimethyl-1-phenyl-, monohydrochloride (CAS 85008-86-2) is a chemical compound with molecular formula C32H32Cl2N4 and molecular weight 542.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-(4-chlorophenyl)-3-phenyl-3,4,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaen-13-yl]-N,N-dimethylpropan-1-amine;hydrochloride
Also Known As: Dibenzo(b,f)pyrazolo(3,4-d)azepine-8(1H)-propanamine, 3a,12b-dihydro-3-(4-chlorophenyl)-N,N-dimethyl-1-phenyl-, monohydrochloride, 3-[3-(4-Chlorophenyl)-1-phenyl-3a,12b-dihydrodibenzo[b,f]pyrazolo[3,4-d]azepin-8(1H)-yl]-N,N-dimethylpropan-1-amine--hydrogen chloride (1/1), RefChem:337145
| Molecular Formula | C32H32Cl2N4 |
|---|---|
| Molecular Weight | 542.20 g/mol |
| LogP | 7.9144 |
| Topological Polar Surface Area | 22.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 542.2004 |
| Heavy Atoms | 38 |
| Complexity | 1419.0956 |
Chemical Identifiers
| CAS Number | 85008-86-2 |
|---|---|
| SMILES | CN(C)CCCN1C2=CC=CC=C2C3C(C4=CC=CC=C41)N(N=C3C5=CC=C(C=C5)Cl)C6=CC=CC=C6.Cl |
Product Overview
Dibenzo(b,f)pyrazolo(3,4-d)azepine-8(1H)-propanamine, 3a,12b-dihydro-3-(4-chlorophenyl)-N,N-dimethyl-1-phenyl-, monohydrochloride (CAS 85008-86-2), with molecular formula C32H32Cl2N4 and molecular weight 542.20 g/mol. IUPAC: 3-[5-(4-chlorophenyl)-3-phenyl-3,4,13-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),4,7,9,11,14,16-heptaen-13-yl]-N,N-dimethylpropan-1-amine;hydrochloride.
Chemical Property Profile of Dibenzo(b,f)pyrazolo(3,4-d)azepine-8(1H)-propanamine, 3a,12b-dihydro-3-(4-chlorophenyl)-N,N-dimethyl-1-phenyl-, monohydrochloride
Property Insights of Dibenzo(b,f)pyrazolo(3,4-d)azepine-8(1H)-propanamine, 3a,12b-dihydro-3-(4-chlorophenyl)-N,N-dimethyl-1-phenyl-, monohydrochloride
The XLogP value of 7.9144 indicates that Dibenzo(b,f)pyrazolo(3,4-d)azepine-8(1H)-propanamine, 3a,12b-dihydro-3-(4-chlorophenyl)-N,N-dimethyl-1-phenyl-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.08 Ų, Dibenzo(b,f)pyrazolo(3,4-d)azepine-8(1H)-propanamine, 3a,12b-dihydro-3-(4-chlorophenyl)-N,N-dimethyl-1-phenyl-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(b,f)pyrazolo(3,4-d)azepine-8(1H)-propanamine, 3a,12b-dihydro-3-(4-chlorophenyl)-N,N-dimethyl-1-phenyl-, monohydrochloride 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)pyrazolo(3,4-d)azepine-8(1H)-propanamine, 3a,12b-dihydro-3-(4-chlorophenyl)-N,N-dimethyl-1-phenyl-, monohydrochloride?
The CAS number of Dibenzo(b,f)pyrazolo(3,4-d)azepine-8(1H)-propanamine, 3a,12b-dihydro-3-(4-chlorophenyl)-N,N-dimethyl-1-phenyl-, monohydrochloride is 85008-86-2.
What is the molecular formula of Dibenzo(b,f)pyrazolo(3,4-d)azepine-8(1H)-propanamine, 3a,12b-dihydro-3-(4-chlorophenyl)-N,N-dimethyl-1-phenyl-, monohydrochloride?
The molecular formula of Dibenzo(b,f)pyrazolo(3,4-d)azepine-8(1H)-propanamine, 3a,12b-dihydro-3-(4-chlorophenyl)-N,N-dimethyl-1-phenyl-, monohydrochloride is C32H32Cl2N4.
What is the molecular weight of Dibenzo(b,f)pyrazolo(3,4-d)azepine-8(1H)-propanamine, 3a,12b-dihydro-3-(4-chlorophenyl)-N,N-dimethyl-1-phenyl-, monohydrochloride?
The molecular weight of Dibenzo(b,f)pyrazolo(3,4-d)azepine-8(1H)-propanamine, 3a,12b-dihydro-3-(4-chlorophenyl)-N,N-dimethyl-1-phenyl-, monohydrochloride is 542.20 g/mol.
Where can I buy Dibenzo(b,f)pyrazolo(3,4-d)azepine-8(1H)-propanamine, 3a,12b-dihydro-3-(4-chlorophenyl)-N,N-dimethyl-1-phenyl-, monohydrochloride?
You can request a quote for Dibenzo(b,f)pyrazolo(3,4-d)azepine-8(1H)-propanamine, 3a,12b-dihydro-3-(4-chlorophenyl)-N,N-dimethyl-1-phenyl-, monohydrochloride 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)pyrazolo(3,4-d)azepine-8(1H)-propanamine, 3a,12b-dihydro-3-(4-chlorophenyl)-N,N-dimethyl-1-phenyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,f)pyrazolo(3,4-d)azepine-8(1H)-propanamine, 3a,12b-dihydro-3-(4-chlorophenyl)-N,N-dimethyl-1-phenyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.