12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(3-dimethylaminopropyl)-
TL;DR: 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(3-dimethylaminopropyl)- (CAS 37683-59-3) 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.
3-(6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)-N,N-dimethylpropan-1-amine
Also Known As: 12H-(1)BENZOXEPINO(5,4-b)INDOLE, 6,7-DIHYDRO-12-(3-DIMETHYLAMINOPROPYL)-, 6,7-Dihydro-12-(3-dimethylaminopropyl)-12H-(1)benzoxepino(5,4-b)indole, 12-(3-Dimethylaminopropyl)-12H-6,7-dihydrobenz(2',3')oxepino(4,5-b)indole, 3-(6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)-N,N-dimethylpropan-1-amine, 12H-[1]Benzoxepino[5,4-b]indole-12-propanamine, 6,7-dihydro-N,N-dimethyl-
| 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 | 4 |
| Exact Mass | 320.18887 |
| Heavy Atoms | 24 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 37683-59-3 |
|---|---|
| SMILES | CN(C)CCCN1C2=CC=CC=C2C3=C1C4=CC=CC=C4OCC3 |
| InChIKey | IEEGBRXFJYMBKD-UHFFFAOYSA-N |
Product Overview
12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(3-dimethylaminopropyl)- (CAS 37683-59-3), with molecular formula C21H24N2O and molecular weight 320.19 g/mol. IUPAC: 3-(6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)-N,N-dimethylpropan-1-amine.
Chemical Property Profile of 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(3-dimethylaminopropyl)-
Property Insights of 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(3-dimethylaminopropyl)-
The XLogP value of 4.0 indicates that 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(3-dimethylaminopropyl)- 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-(3-dimethylaminopropyl)- 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-(3-dimethylaminopropyl)- 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-(3-dimethylaminopropyl)-?
The CAS number of 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(3-dimethylaminopropyl)- is 37683-59-3.
What is the molecular formula of 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(3-dimethylaminopropyl)-?
The molecular formula of 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(3-dimethylaminopropyl)- is C21H24N2O.
What is the molecular weight of 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(3-dimethylaminopropyl)-?
The molecular weight of 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(3-dimethylaminopropyl)- is 320.19 g/mol.
Where can I buy 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(3-dimethylaminopropyl)-?
You can request a quote for 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(3-dimethylaminopropyl)- 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-(3-dimethylaminopropyl)-?
Yes, KEHONG BIO provides custom synthesis services for 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(3-dimethylaminopropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.