4-(2,3,3a,4,5,6-Hexahydro-2-methylbenzo[6,7]cyclohepta[1,2]pyrazol-3-yl)-N,N-dimethylbenzenamine
TL;DR: 4-(2,3,3a,4,5,6-Hexahydro-2-methylbenzo[6,7]cyclohepta[1,2]pyrazol-3-yl)-N,N-dimethylbenzenamine (CAS 883019-46-3) is a chemical compound with molecular formula C21H25N3 and molecular weight 319.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-(4-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraen-5-yl)aniline
Also Known As: 4-(2,3,3a,4,5,6-Hexahydro-2-methylbenzo[6,7]cyclohepta[1,2]pyrazol-3-yl)-N,N-dimethylbenzenamine, 4-(2,3,3a,4,5,6-Hexahydro-2-methylbenzo(6,7)cyclohepta(1,2)pyrazol-3-yl)-N,N-dimethylbenzenamine, N,N-Dimethyl-4-(2-methyl-2,3,3a,4,5,6-hexahydrobenzo[6,7]cyclohepta[1,2-c]pyrazol-3-yl)aniline, N1,N1-dimethyl-4-(2-methyl-2,3,3a,4,5,6-hexahydrobenzo[6,7]cyclohepta[c]pyrazol-3-yl)aniline, RefChem:286861
| Molecular Formula | C21H25N3 |
|---|---|
| Molecular Weight | 319.20 g/mol |
| LogP | 4.0959 |
| Topological Polar Surface Area | 18.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.20483 |
| Heavy Atoms | 24 |
| Complexity | 760.90826 |
Chemical Identifiers
| CAS Number | 883019-46-3 |
|---|---|
| SMILES | CN1C(C2CCCC3=CC=CC=C3C2=N1)C4=CC=C(C=C4)N(C)C |
Product Overview
4-(2,3,3a,4,5,6-Hexahydro-2-methylbenzo[6,7]cyclohepta[1,2]pyrazol-3-yl)-N,N-dimethylbenzenamine (CAS 883019-46-3), with molecular formula C21H25N3 and molecular weight 319.20 g/mol. IUPAC: N,N-dimethyl-4-(4-methyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraen-5-yl)aniline.
Chemical Property Profile of 4-(2,3,3a,4,5,6-Hexahydro-2-methylbenzo[6,7]cyclohepta[1,2]pyrazol-3-yl)-N,N-dimethylbenzenamine
Property Insights of 4-(2,3,3a,4,5,6-Hexahydro-2-methylbenzo[6,7]cyclohepta[1,2]pyrazol-3-yl)-N,N-dimethylbenzenamine
The XLogP value of 4.0959 indicates that 4-(2,3,3a,4,5,6-Hexahydro-2-methylbenzo[6,7]cyclohepta[1,2]pyrazol-3-yl)-N,N-dimethylbenzenamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.84 Ų, 4-(2,3,3a,4,5,6-Hexahydro-2-methylbenzo[6,7]cyclohepta[1,2]pyrazol-3-yl)-N,N-dimethylbenzenamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,3,3a,4,5,6-Hexahydro-2-methylbenzo[6,7]cyclohepta[1,2]pyrazol-3-yl)-N,N-dimethylbenzenamine has 0 hydrogen bond donor(s) and 3 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 4-(2,3,3a,4,5,6-Hexahydro-2-methylbenzo[6,7]cyclohepta[1,2]pyrazol-3-yl)-N,N-dimethylbenzenamine?
The CAS number of 4-(2,3,3a,4,5,6-Hexahydro-2-methylbenzo[6,7]cyclohepta[1,2]pyrazol-3-yl)-N,N-dimethylbenzenamine is 883019-46-3.
What is the molecular formula of 4-(2,3,3a,4,5,6-Hexahydro-2-methylbenzo[6,7]cyclohepta[1,2]pyrazol-3-yl)-N,N-dimethylbenzenamine?
The molecular formula of 4-(2,3,3a,4,5,6-Hexahydro-2-methylbenzo[6,7]cyclohepta[1,2]pyrazol-3-yl)-N,N-dimethylbenzenamine is C21H25N3.
What is the molecular weight of 4-(2,3,3a,4,5,6-Hexahydro-2-methylbenzo[6,7]cyclohepta[1,2]pyrazol-3-yl)-N,N-dimethylbenzenamine?
The molecular weight of 4-(2,3,3a,4,5,6-Hexahydro-2-methylbenzo[6,7]cyclohepta[1,2]pyrazol-3-yl)-N,N-dimethylbenzenamine is 319.20 g/mol.
Where can I buy 4-(2,3,3a,4,5,6-Hexahydro-2-methylbenzo[6,7]cyclohepta[1,2]pyrazol-3-yl)-N,N-dimethylbenzenamine?
You can request a quote for 4-(2,3,3a,4,5,6-Hexahydro-2-methylbenzo[6,7]cyclohepta[1,2]pyrazol-3-yl)-N,N-dimethylbenzenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,3,3a,4,5,6-Hexahydro-2-methylbenzo[6,7]cyclohepta[1,2]pyrazol-3-yl)-N,N-dimethylbenzenamine?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3,3a,4,5,6-Hexahydro-2-methylbenzo[6,7]cyclohepta[1,2]pyrazol-3-yl)-N,N-dimethylbenzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.