(RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride
TL;DR: (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride (CAS 130997-54-5) is a chemical compound with molecular formula C13H18Cl2F3N3OS and molecular weight 391.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-N,N-dimethylpropan-2-amine;dihydrochloride
Also Known As: (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride, 3(2H)-Benzothiazoleethanamine, 2-imino-N,N,alpha-trimethyl-6-(trifluoromethoxy)-, dihydrochloride, (+-)-, 1-[2-Imino-6-(trifluoromethoxy)-1,3-benzothiazol-3(2H)-yl]-N,N-dimethylpropan-2-amine--hydrogen chloride (1/2), 1-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-N,N-dimethylpropan-2-amine dihydrochloride, RefChem:269437
| Molecular Formula | C13H18Cl2F3N3OS |
|---|---|
| Molecular Weight | 391.05 g/mol |
| LogP | 3.87457 |
| Topological Polar Surface Area | 41.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.05 |
| Heavy Atoms | 23 |
| Complexity | 699.81006 |
Chemical Identifiers
| CAS Number | 130997-54-5 |
|---|---|
| SMILES | CC(CN1C2=C(C=C(C=C2)OC(F)(F)F)SC1=N)N(C)C.Cl.Cl |
Product Overview
(RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride (CAS 130997-54-5), with molecular formula C13H18Cl2F3N3OS and molecular weight 391.05 g/mol. IUPAC: 1-[2-imino-6-(trifluoromethoxy)-1,3-benzothiazol-3-yl]-N,N-dimethylpropan-2-amine;dihydrochloride.
Chemical Property Profile of (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride
Property Insights of (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride
The XLogP value of 3.87457 indicates that (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.25 Ų, (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride 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 (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride?
The CAS number of (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride is 130997-54-5.
What is the molecular formula of (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride?
The molecular formula of (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride is C13H18Cl2F3N3OS.
What is the molecular weight of (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride?
The molecular weight of (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride is 391.05 g/mol.
Where can I buy (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride?
You can request a quote for (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for (RS)-3-(2-Dimethylaminopropyl)-2-imino-6-trifluoromethoxybenzothiazoline dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.