![2-(6,7-dihydrotetrazolo[1',5':1,2]azepino[3,4-b]indol-12(5H)-yl)-N,N-dimethylethanamine hydrochloride structure](/static/products/107/1079043-31-4.png)
2-(6,7-dihydrotetrazolo[1',5':1,2]azepino[3,4-b]indol-12(5H)-yl)-N,N-dimethylethanamine hydrochloride
TL;DR: 2-(6,7-dihydrotetrazolo[1',5':1,2]azepino[3,4-b]indol-12(5H)-yl)-N,N-dimethylethanamine hydrochloride (CAS 1079043-31-4) is a chemical compound with molecular formula C16H21ClN6 and molecular weight 332.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-(3,4,5,6,17-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2,4,11,13,15-hexaen-17-yl)ethanamine;hydrochloride
Also Known As: 2-(6,7-dihydrotetrazolo[1',5':1,2]azepino[3,4-b]indol-12(5H)-yl)-N,N-dimethylethanamine hydrochloride
| Molecular Formula | C16H21ClN6 |
|---|---|
| Molecular Weight | 332.15 g/mol |
| LogP | 2.2244 |
| Topological Polar Surface Area | 51.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.1516 |
| Heavy Atoms | 23 |
| Complexity | 819.1998 |
Chemical Identifiers
| CAS Number | 1079043-31-4 |
|---|---|
| SMILES | CN(C)CCN1C2=CC=CC=C2C3=C1C4=NN=NN4CCC3.Cl |
Product Overview
2-(6,7-dihydrotetrazolo[1',5':1,2]azepino[3,4-b]indol-12(5H)-yl)-N,N-dimethylethanamine hydrochloride (CAS 1079043-31-4), with molecular formula C16H21ClN6 and molecular weight 332.15 g/mol. IUPAC: N,N-dimethyl-2-(3,4,5,6,17-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2,4,11,13,15-hexaen-17-yl)ethanamine;hydrochloride.
Chemical Property Profile of 2-(6,7-dihydrotetrazolo[1',5':1,2]azepino[3,4-b]indol-12(5H)-yl)-N,N-dimethylethanamine hydrochloride
Property Insights of 2-(6,7-dihydrotetrazolo[1',5':1,2]azepino[3,4-b]indol-12(5H)-yl)-N,N-dimethylethanamine hydrochloride
The XLogP value of 2.2244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6,7-dihydrotetrazolo[1',5':1,2]azepino[3,4-b]indol-12(5H)-yl)-N,N-dimethylethanamine hydrochloride. With a topological polar surface area (TPSA) of 51.77 Ų, 2-(6,7-dihydrotetrazolo[1',5':1,2]azepino[3,4-b]indol-12(5H)-yl)-N,N-dimethylethanamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6,7-dihydrotetrazolo[1',5':1,2]azepino[3,4-b]indol-12(5H)-yl)-N,N-dimethylethanamine hydrochloride has 0 hydrogen bond donor(s) and 4 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-(6,7-dihydrotetrazolo[1',5':1,2]azepino[3,4-b]indol-12(5H)-yl)-N,N-dimethylethanamine hydrochloride?
The CAS number of 2-(6,7-dihydrotetrazolo[1',5':1,2]azepino[3,4-b]indol-12(5H)-yl)-N,N-dimethylethanamine hydrochloride is 1079043-31-4.
What is the molecular formula of 2-(6,7-dihydrotetrazolo[1',5':1,2]azepino[3,4-b]indol-12(5H)-yl)-N,N-dimethylethanamine hydrochloride?
The molecular formula of 2-(6,7-dihydrotetrazolo[1',5':1,2]azepino[3,4-b]indol-12(5H)-yl)-N,N-dimethylethanamine hydrochloride is C16H21ClN6.
What is the molecular weight of 2-(6,7-dihydrotetrazolo[1',5':1,2]azepino[3,4-b]indol-12(5H)-yl)-N,N-dimethylethanamine hydrochloride?
The molecular weight of 2-(6,7-dihydrotetrazolo[1',5':1,2]azepino[3,4-b]indol-12(5H)-yl)-N,N-dimethylethanamine hydrochloride is 332.15 g/mol.
Where can I buy 2-(6,7-dihydrotetrazolo[1',5':1,2]azepino[3,4-b]indol-12(5H)-yl)-N,N-dimethylethanamine hydrochloride?
You can request a quote for 2-(6,7-dihydrotetrazolo[1',5':1,2]azepino[3,4-b]indol-12(5H)-yl)-N,N-dimethylethanamine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6,7-dihydrotetrazolo[1',5':1,2]azepino[3,4-b]indol-12(5H)-yl)-N,N-dimethylethanamine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(6,7-dihydrotetrazolo[1',5':1,2]azepino[3,4-b]indol-12(5H)-yl)-N,N-dimethylethanamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.