RefChem:1083311
TL;DR: RefChem:1083311 (CAS 82394-10-3) is a chemical compound with molecular formula C17H20ClNOS and molecular weight 321.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxy-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)methyl-methylazanium chloride
Also Known As: Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-4-methoxy-N-methyl-, hydrochloride, 4-Methoxy-11-(methylaminomethyl)-6,11-dihydrodibenzo(b,e)thiepin hydrochloride, 6,11-Dihydro-4-methoxy-N-methyldibenzo(b,e)thiepin-11-methanamine hydrochloride, (4-methoxy-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)methyl-methylazanium chloride, 1-(4-methoxy-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N-methylmethanamine,hydrochloride
| Molecular Formula | C17H20ClNOS |
|---|---|
| Molecular Weight | 321.10 g/mol |
| LogP | -0.37 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.0954 |
| Heavy Atoms | 21 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 82394-10-3 |
|---|---|
| SMILES | C[NH2+]CC1C2=C(C(=CC=C2)OC)SCC3=CC=CC=C13.[Cl-] |
| InChIKey | NMQXJIAJDPUOSU-UHFFFAOYSA-N |
Product Overview
RefChem:1083311 (CAS 82394-10-3), with molecular formula C17H20ClNOS and molecular weight 321.10 g/mol. IUPAC: (4-methoxy-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)methyl-methylazanium chloride.
Chemical Property Profile of RefChem:1083311
Property Insights of RefChem:1083311
The XLogP value of -0.37 indicates that RefChem:1083311 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.1 Ų, RefChem:1083311 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1083311 has 1 hydrogen bond donor(s) and 3 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 RefChem:1083311?
The CAS number of RefChem:1083311 is 82394-10-3.
What is the molecular formula of RefChem:1083311?
The molecular formula of RefChem:1083311 is C17H20ClNOS.
What is the molecular weight of RefChem:1083311?
The molecular weight of RefChem:1083311 is 321.10 g/mol.
Where can I buy RefChem:1083311?
You can request a quote for RefChem:1083311 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083311?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083311 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.