RefChem:337164
TL;DR: RefChem:337164 (CAS 60969-92-8) is a chemical compound with molecular formula C17H20ClNO2S and molecular weight 337.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-methylazanium chloride
Also Known As: Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-2,3-dimethoxy-N-methyl-, hydrochloride, 10,11-Dihydro-2,3-dimethoxy-N-methyldibenzo(b,f)thiepin-10-amine hydrochloride, 2,3-Dimethoxy-10-methylamino-10,11-dihydrodibenzo(b,f)thiepin hydrochloride, (2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-methylazanium chloride, RefChem:337164
| Molecular Formula | C17H20ClNO2S |
|---|---|
| Molecular Weight | 337.09 g/mol |
| LogP | -0.35 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.09033 |
| Heavy Atoms | 22 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 60969-92-8 |
|---|---|
| SMILES | C[NH2+]C1CC2=CC(=C(C=C2SC3=CC=CC=C13)OC)OC.[Cl-] |
| InChIKey | HVYNRUIHXCWLNW-UHFFFAOYSA-N |
Product Overview
RefChem:337164 (CAS 60969-92-8), with molecular formula C17H20ClNO2S and molecular weight 337.09 g/mol. IUPAC: (2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-methylazanium chloride.
Chemical Property Profile of RefChem:337164
Property Insights of RefChem:337164
The XLogP value of -0.35 indicates that RefChem:337164 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:337164. Following Lipinski's Rule of Five, RefChem:337164 has 1 hydrogen bond donor(s) and 4 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:337164?
The CAS number of RefChem:337164 is 60969-92-8.
What is the molecular formula of RefChem:337164?
The molecular formula of RefChem:337164 is C17H20ClNO2S.
What is the molecular weight of RefChem:337164?
The molecular weight of RefChem:337164 is 337.09 g/mol.
Where can I buy RefChem:337164?
You can request a quote for RefChem:337164 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:337164?
Yes, KEHONG BIO provides custom synthesis services for RefChem:337164 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.