Benzothiazole, 4,6-dichloro-7-(2-diethylaminoethyl)amino-, dihydrochloride
TL;DR: Benzothiazole, 4,6-dichloro-7-(2-diethylaminoethyl)amino-, dihydrochloride (CAS 64036-73-3) is a chemical compound with molecular formula C13H19Cl4N3S and molecular weight 389.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,6-dichloro-1,3-benzothiazol-3-ium-7-yl)amino]ethyl-diethylazanium dichloride
Also Known As: USAF DU-1, BENZOTHIAZOLE, 4,6-DICHLORO-7-(2-DIETHYLAMINOETHYL)AMINO-, DIHYDROCHLORIDE, 4,6-Dichloro-7-(beta-diethylaminoethyl)amino benzothiazole dihydrochloride, 2-[(4,6-Dichloro-1,3-benzothiazol-3-ium-7-yl)amino]ethyl-diethylazaniumdichloride, 1,2-Ethanediamine, N'-(4,6-dichloro-7-benzothiazolyl)-N,N-diethyl-, dihydrochloride
| Molecular Formula | C13H19Cl4N3S |
|---|---|
| Molecular Weight | 389.01 g/mol |
| LogP | -3.63 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.00244 |
| Heavy Atoms | 21 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 64036-73-3 |
|---|---|
| SMILES | CC[NH+](CC)CCNC1=C(C=C(C2=C1SC=[NH+]2)Cl)Cl.[Cl-].[Cl-] |
| InChIKey | XISOZZWEDNERTM-UHFFFAOYSA-N |
Product Overview
Benzothiazole, 4,6-dichloro-7-(2-diethylaminoethyl)amino-, dihydrochloride (CAS 64036-73-3), with molecular formula C13H19Cl4N3S and molecular weight 389.01 g/mol. IUPAC: 2-[(4,6-dichloro-1,3-benzothiazol-3-ium-7-yl)amino]ethyl-diethylazanium dichloride.
Chemical Property Profile of Benzothiazole, 4,6-dichloro-7-(2-diethylaminoethyl)amino-, dihydrochloride
Property Insights of Benzothiazole, 4,6-dichloro-7-(2-diethylaminoethyl)amino-, dihydrochloride
The XLogP value of -3.63 indicates that Benzothiazole, 4,6-dichloro-7-(2-diethylaminoethyl)amino-, dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.9 Ų, Benzothiazole, 4,6-dichloro-7-(2-diethylaminoethyl)amino-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 4,6-dichloro-7-(2-diethylaminoethyl)amino-, dihydrochloride has 3 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 Benzothiazole, 4,6-dichloro-7-(2-diethylaminoethyl)amino-, dihydrochloride?
The CAS number of Benzothiazole, 4,6-dichloro-7-(2-diethylaminoethyl)amino-, dihydrochloride is 64036-73-3.
What is the molecular formula of Benzothiazole, 4,6-dichloro-7-(2-diethylaminoethyl)amino-, dihydrochloride?
The molecular formula of Benzothiazole, 4,6-dichloro-7-(2-diethylaminoethyl)amino-, dihydrochloride is C13H19Cl4N3S.
What is the molecular weight of Benzothiazole, 4,6-dichloro-7-(2-diethylaminoethyl)amino-, dihydrochloride?
The molecular weight of Benzothiazole, 4,6-dichloro-7-(2-diethylaminoethyl)amino-, dihydrochloride is 389.01 g/mol.
Where can I buy Benzothiazole, 4,6-dichloro-7-(2-diethylaminoethyl)amino-, dihydrochloride?
You can request a quote for Benzothiazole, 4,6-dichloro-7-(2-diethylaminoethyl)amino-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 4,6-dichloro-7-(2-diethylaminoethyl)amino-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 4,6-dichloro-7-(2-diethylaminoethyl)amino-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.