Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-N-methyl-, hydrochloride
TL;DR: Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-N-methyl-, hydrochloride (CAS 82394-08-9) is a chemical compound with molecular formula C16H18ClNS and molecular weight 291.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethyl(methyl)azanium chloride
Also Known As: 11-(Methylaminomethyl)-6,11-dihydrodibenzo(b,e)thiepin hydrochloride, 6,11-Dihydro-N-methyldibenzo(b,e)thiepin-11-methanamine hydrochloride, DIBENZO(b,e)THIEPIN-11-METHANAMINE, 6,11-DIHYDRO-N-METHYL-, HYDROCHLORIDE, 6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethyl(methyl)azanium chloride, 6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethyl(methyl)azanium,chloride
| Molecular Formula | C16H18ClNS |
|---|---|
| Molecular Weight | 291.08 g/mol |
| LogP | -0.38 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.08484 |
| Heavy Atoms | 19 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 82394-08-9 |
|---|---|
| SMILES | C[NH2+]CC1C2=CC=CC=C2CSC3=CC=CC=C13.[Cl-] |
| InChIKey | QYVJZJBUIBZARG-UHFFFAOYSA-N |
Product Overview
Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-N-methyl-, hydrochloride (CAS 82394-08-9), with molecular formula C16H18ClNS and molecular weight 291.08 g/mol. IUPAC: 6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethyl(methyl)azanium chloride.
Chemical Property Profile of Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-N-methyl-, hydrochloride
Property Insights of Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-N-methyl-, hydrochloride
The XLogP value of -0.38 indicates that Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-N-methyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.9 Ų, Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-N-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-N-methyl-, hydrochloride has 1 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 Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-N-methyl-, hydrochloride?
The CAS number of Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-N-methyl-, hydrochloride is 82394-08-9.
What is the molecular formula of Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-N-methyl-, hydrochloride?
The molecular formula of Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-N-methyl-, hydrochloride is C16H18ClNS.
What is the molecular weight of Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-N-methyl-, hydrochloride?
The molecular weight of Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-N-methyl-, hydrochloride is 291.08 g/mol.
Where can I buy Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-N-methyl-, hydrochloride?
You can request a quote for Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-N-methyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-N-methyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-N-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.