12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(2-dimethylaminoethyl)-9-methyl-
TL;DR: 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(2-dimethylaminoethyl)-9-methyl- (CAS 37683-56-0) is a chemical compound with molecular formula C21H24N2O and molecular weight 320.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-(9-methyl-6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)ethanamine
Also Known As: 12H-(1)BENZOXEPINO(5,4-b)INDOLE, 6,7-DIHYDRO-12-(2-DIMETHYLAMINOETHYL)-9-METHYL-, 6,7-Dihydro-12-(2-dimethylaminoethyl)-9-methyl-12H-(1)benzoxepino(5,4-b)indole, 12-(2-Dimethylaminoethyl)-9-methyl-12H-6,7-dihydrobenz(2',3')oxepino(4,5-b)indole, 6,7-Dihydro-9-methyl-N,N-dimethyl-12H-[1]benzoxepino[5,4-b]indole-12-ethanamine, N,N-dimethyl-2-(9-methyl-6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)ethanamine
| Molecular Formula | C21H24N2O |
|---|---|
| Molecular Weight | 320.19 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 17.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.18887 |
| Heavy Atoms | 24 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 37683-56-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C3=C2CCOC4=CC=CC=C43)CCN(C)C |
| InChIKey | GMCMXQVOFGRICB-UHFFFAOYSA-N |
Product Overview
12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(2-dimethylaminoethyl)-9-methyl- (CAS 37683-56-0), with molecular formula C21H24N2O and molecular weight 320.19 g/mol. IUPAC: N,N-dimethyl-2-(9-methyl-6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)ethanamine.
Chemical Property Profile of 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(2-dimethylaminoethyl)-9-methyl-
Property Insights of 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(2-dimethylaminoethyl)-9-methyl-
The XLogP value of 4.0 indicates that 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(2-dimethylaminoethyl)-9-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.4 Ų, 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(2-dimethylaminoethyl)-9-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(2-dimethylaminoethyl)-9-methyl- has 0 hydrogen bond donor(s) and 2 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 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(2-dimethylaminoethyl)-9-methyl-?
The CAS number of 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(2-dimethylaminoethyl)-9-methyl- is 37683-56-0.
What is the molecular formula of 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(2-dimethylaminoethyl)-9-methyl-?
The molecular formula of 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(2-dimethylaminoethyl)-9-methyl- is C21H24N2O.
What is the molecular weight of 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(2-dimethylaminoethyl)-9-methyl-?
The molecular weight of 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(2-dimethylaminoethyl)-9-methyl- is 320.19 g/mol.
Where can I buy 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(2-dimethylaminoethyl)-9-methyl-?
You can request a quote for 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(2-dimethylaminoethyl)-9-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(2-dimethylaminoethyl)-9-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(2-dimethylaminoethyl)-9-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.