HF-2159 hydrochloride
TL;DR: HF-2159 hydrochloride (CAS 4956-31-4) is a chemical compound with molecular formula C18H19Cl2N3S and molecular weight 379.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-chloro-6-(4-methylpiperazin-1-ium-1-yl)benzo[b][1,4]benzothiazepine chloride
Also Known As: HF-2159 hydrochloride, 2-Chloro-11-(4'-methyl)piperazino-dibenzo(b,f)(1,4)thiazepine hydrochloride, Dibenzo(b,f)(1,4)thiazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-, hydrochloride, 8-Chloro-6-(4-methylpiperazin-1-ium-1-yl)benzo[b][1,5]benzothiazepinechloride, 8-chloro-6-(4-methylpiperazin-1-ium-1-yl)benzo[b][1,4]benzothiazepine chloride
| Molecular Formula | C18H19Cl2N3S |
|---|---|
| Molecular Weight | 379.07 g/mol |
| LogP | -0.28 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 379.0677 |
| Heavy Atoms | 24 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 4956-31-4 |
|---|---|
| SMILES | CN1CC[NH+](CC1)C2=NC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.[Cl-] |
| InChIKey | HBBGEMOWBPOXIL-UHFFFAOYSA-N |
Product Overview
HF-2159 hydrochloride (CAS 4956-31-4), with molecular formula C18H19Cl2N3S and molecular weight 379.07 g/mol. IUPAC: 8-chloro-6-(4-methylpiperazin-1-ium-1-yl)benzo[b][1,4]benzothiazepine chloride.
Chemical Property Profile of HF-2159 hydrochloride
Property Insights of HF-2159 hydrochloride
The XLogP value of -0.28 indicates that HF-2159 hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 45.3 Ų, HF-2159 hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, HF-2159 hydrochloride 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 HF-2159 hydrochloride?
The CAS number of HF-2159 hydrochloride is 4956-31-4.
What is the molecular formula of HF-2159 hydrochloride?
The molecular formula of HF-2159 hydrochloride is C18H19Cl2N3S.
What is the molecular weight of HF-2159 hydrochloride?
The molecular weight of HF-2159 hydrochloride is 379.07 g/mol.
Where can I buy HF-2159 hydrochloride?
You can request a quote for HF-2159 hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for HF-2159 hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for HF-2159 hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.