6,11-Dihydro-N,N-dimethyldibenzo(b,e)thiepin-11-propanamine
TL;DR: 6,11-Dihydro-N,N-dimethyldibenzo(b,e)thiepin-11-propanamine (CAS 1886-45-9) is a chemical compound with molecular formula C19H23NS and molecular weight 297.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N,N-dimethylpropan-1-amine
Also Known As: Hydrothiadene, Idrotiadene, 3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N,N-dimethylpropan-1-amine, 6,11-Dihydro-N,N-dimethyldibenzo[b,e]thiepin-11-(1-propanamine), AE-641/00357061
| Molecular Formula | C19H23NS |
|---|---|
| Molecular Weight | 297.16 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.15512 |
| Heavy Atoms | 21 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 1886-45-9 |
|---|---|
| SMILES | CN(C)CCCC1C2=CC=CC=C2CSC3=CC=CC=C13 |
| InChIKey | UTAPTDWKRLVUMP-UHFFFAOYSA-N |
Product Overview
6,11-Dihydro-N,N-dimethyldibenzo(b,e)thiepin-11-propanamine (CAS 1886-45-9), with molecular formula C19H23NS and molecular weight 297.16 g/mol. IUPAC: 3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N,N-dimethylpropan-1-amine.
Chemical Property Profile of 6,11-Dihydro-N,N-dimethyldibenzo(b,e)thiepin-11-propanamine
Property Insights of 6,11-Dihydro-N,N-dimethyldibenzo(b,e)thiepin-11-propanamine
The XLogP value of 4.5 indicates that 6,11-Dihydro-N,N-dimethyldibenzo(b,e)thiepin-11-propanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.5 Ų, 6,11-Dihydro-N,N-dimethyldibenzo(b,e)thiepin-11-propanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,11-Dihydro-N,N-dimethyldibenzo(b,e)thiepin-11-propanamine 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 6,11-Dihydro-N,N-dimethyldibenzo(b,e)thiepin-11-propanamine?
The CAS number of 6,11-Dihydro-N,N-dimethyldibenzo(b,e)thiepin-11-propanamine is 1886-45-9.
What is the molecular formula of 6,11-Dihydro-N,N-dimethyldibenzo(b,e)thiepin-11-propanamine?
The molecular formula of 6,11-Dihydro-N,N-dimethyldibenzo(b,e)thiepin-11-propanamine is C19H23NS.
What is the molecular weight of 6,11-Dihydro-N,N-dimethyldibenzo(b,e)thiepin-11-propanamine?
The molecular weight of 6,11-Dihydro-N,N-dimethyldibenzo(b,e)thiepin-11-propanamine is 297.16 g/mol.
Where can I buy 6,11-Dihydro-N,N-dimethyldibenzo(b,e)thiepin-11-propanamine?
You can request a quote for 6,11-Dihydro-N,N-dimethyldibenzo(b,e)thiepin-11-propanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,11-Dihydro-N,N-dimethyldibenzo(b,e)thiepin-11-propanamine?
Yes, KEHONG BIO provides custom synthesis services for 6,11-Dihydro-N,N-dimethyldibenzo(b,e)thiepin-11-propanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.