Isothipendyl Hydrochloride
TL;DR: Isothipendyl Hydrochloride (CAS 1225-60-1) is a chemical compound with molecular formula C16H20ClN3S and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine;hydrochloride
Also Known As: isothipendyl hydrochloride, Andantol, Theruhistin, Isothipendyl HCl, Adantol
| Molecular Formula | C16H20ClN3S |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 4.06 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.10666 |
| Heavy Atoms | 21 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 1225-60-1 |
|---|---|
| SMILES | CC(CN1C2=CC=CC=C2SC3=C1N=CC=C3)N(C)C.Cl |
| InChIKey | RQHCFTORMXCNGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isothipendyl Hydrochloride (CAS 1225-60-1), with molecular formula C16H20ClN3S and molecular weight 321.11 g/mol. IUPAC: N,N-dimethyl-1-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-2-amine;hydrochloride.
Chemical Property Profile of Isothipendyl Hydrochloride
Property Insights of Isothipendyl Hydrochloride
The XLogP value of 4.06 indicates that Isothipendyl Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.7 Ų, Isothipendyl Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isothipendyl 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 Isothipendyl Hydrochloride?
The CAS number of Isothipendyl Hydrochloride is 1225-60-1.
What is the molecular formula of Isothipendyl Hydrochloride?
The molecular formula of Isothipendyl Hydrochloride is C16H20ClN3S.
What is the molecular weight of Isothipendyl Hydrochloride?
The molecular weight of Isothipendyl Hydrochloride is 321.11 g/mol.
Where can I buy Isothipendyl Hydrochloride?
You can request a quote for Isothipendyl Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isothipendyl Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isothipendyl Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.