1,2-Benzisothiazole-3-propanamine, N,N-dimethyl-gamma-phenyl-, monohydrochloride
TL;DR: 1,2-Benzisothiazole-3-propanamine, N,N-dimethyl-gamma-phenyl-, monohydrochloride (CAS 83796-68-3) is a chemical compound with molecular formula C18H21ClN2S and molecular weight 332.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,2-benzothiazol-3-yl)-N,N-dimethyl-3-phenylpropan-1-amine;hydrochloride
Also Known As: PM3B, Cid 158571, 1,2-Benzisothiazole-3-propanamine, N,N-dimethyl-gamma-phenyl-, monohydrochloride, N,N-Dimethyl-3-phenyl-3-(1,2-benzisothiazol-3-yl)propylamine HCl, N,N-Dimethylamino-3-phenyl-3-(1,2-benzisothiazol-3-yl)propylamine
| Molecular Formula | C18H21ClN2S |
|---|---|
| Molecular Weight | 332.11 g/mol |
| LogP | 4.8017 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.1114 |
| Heavy Atoms | 22 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 83796-68-3 |
|---|---|
| SMILES | CN(C)CCC(C1=CC=CC=C1)C2=NSC3=CC=CC=C32.Cl |
| InChIKey | WSHGBUGECZSBQK-UHFFFAOYSA-N |
Product Overview
1,2-Benzisothiazole-3-propanamine, N,N-dimethyl-gamma-phenyl-, monohydrochloride (CAS 83796-68-3), with molecular formula C18H21ClN2S and molecular weight 332.11 g/mol. IUPAC: 3-(1,2-benzothiazol-3-yl)-N,N-dimethyl-3-phenylpropan-1-amine;hydrochloride.
Chemical Property Profile of 1,2-Benzisothiazole-3-propanamine, N,N-dimethyl-gamma-phenyl-, monohydrochloride
Property Insights of 1,2-Benzisothiazole-3-propanamine, N,N-dimethyl-gamma-phenyl-, monohydrochloride
The XLogP value of 4.8017 indicates that 1,2-Benzisothiazole-3-propanamine, N,N-dimethyl-gamma-phenyl-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.4 Ų, 1,2-Benzisothiazole-3-propanamine, N,N-dimethyl-gamma-phenyl-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzisothiazole-3-propanamine, N,N-dimethyl-gamma-phenyl-, monohydrochloride 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 1,2-Benzisothiazole-3-propanamine, N,N-dimethyl-gamma-phenyl-, monohydrochloride?
The CAS number of 1,2-Benzisothiazole-3-propanamine, N,N-dimethyl-gamma-phenyl-, monohydrochloride is 83796-68-3.
What is the molecular formula of 1,2-Benzisothiazole-3-propanamine, N,N-dimethyl-gamma-phenyl-, monohydrochloride?
The molecular formula of 1,2-Benzisothiazole-3-propanamine, N,N-dimethyl-gamma-phenyl-, monohydrochloride is C18H21ClN2S.
What is the molecular weight of 1,2-Benzisothiazole-3-propanamine, N,N-dimethyl-gamma-phenyl-, monohydrochloride?
The molecular weight of 1,2-Benzisothiazole-3-propanamine, N,N-dimethyl-gamma-phenyl-, monohydrochloride is 332.11 g/mol.
Where can I buy 1,2-Benzisothiazole-3-propanamine, N,N-dimethyl-gamma-phenyl-, monohydrochloride?
You can request a quote for 1,2-Benzisothiazole-3-propanamine, N,N-dimethyl-gamma-phenyl-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzisothiazole-3-propanamine, N,N-dimethyl-gamma-phenyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisothiazole-3-propanamine, N,N-dimethyl-gamma-phenyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.