RefChem:337115
TL;DR: RefChem:337115 (CAS 846-54-8) is a chemical compound with molecular formula C19H24ClNS and molecular weight 333.13 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)propyl-dimethylazanium chloride
Also Known As: Hydrothiadene hydrochloride hemihydrate, C19H23NS.ClH.1/2H2O, C19-H23-N-S.Cl-H.1/2H2-O, 6,11-Dihydro-N,N-dimethyldibenzo(b,e)thiepin-11-propylamine hydrochloride hydrate (2:2:1), Dibenzo(b,e)thiepin-11-propylamine, 6,11-dihydro-N,N-dimethyl-, hydrochloride, hydrate (2:2:1)
| Molecular Formula | C19H24ClNS |
|---|---|
| Molecular Weight | 333.13 g/mol |
| LogP | 0.35 |
| Topological Polar Surface Area | 29.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.1318 |
| Heavy Atoms | 22 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 846-54-8 |
|---|---|
| SMILES | C[NH+](C)CCCC1C2=CC=CC=C2CSC3=CC=CC=C13.[Cl-] |
| InChIKey | JUTSOXJHGGRSDY-UHFFFAOYSA-N |
Product Overview
RefChem:337115 (CAS 846-54-8), with molecular formula C19H24ClNS and molecular weight 333.13 g/mol. IUPAC: 3-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:337115
Property Insights of RefChem:337115
The XLogP value of 0.35 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:337115. With a topological polar surface area (TPSA) of 29.7 Ų, RefChem:337115 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:337115 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 RefChem:337115?
The CAS number of RefChem:337115 is 846-54-8.
What is the molecular formula of RefChem:337115?
The molecular formula of RefChem:337115 is C19H24ClNS.
What is the molecular weight of RefChem:337115?
The molecular weight of RefChem:337115 is 333.13 g/mol.
Where can I buy RefChem:337115?
You can request a quote for RefChem:337115 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:337115?
Yes, KEHONG BIO provides custom synthesis services for RefChem:337115 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.